 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_180_STD_LCPBE_augccpVDZ.in
 Output=23_tartaric_acid_180_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/23_tartaric_acid_180_STD/Gau-11626.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/23_tartaric_acid_180_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11628.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                28-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=23_tartaric_acid_180_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=037300
 0000,3/108=0373000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=373000000,108=373000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Jul 28 19:15:44 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "23_tartaric_acid_180_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.590679000000     -0.628285000000     -0.073741000000
  O                                                 1.211559000000     -1.775276000000      0.013291000000
  O                                                 2.868849000000     -0.318264000000      0.051126000000
  C                                                 0.664406000000      0.550522000000     -0.353134000000
  C                                                -0.685188000000      0.564721000000      0.381775000000
  C                                                -1.733895000000     -0.516464000000      0.037464000000
  O                                                -2.859483000000     -0.150461000000     -0.205746000000
  O                                                 1.393505000000      1.714785000000      0.033235000000
  O                                                -1.246997000000      1.824753000000      0.059042000000
  O                                                -1.388076000000     -1.783485000000      0.060653000000
  H                                                 0.467689000000      0.633094000000     -1.429180000000
  H                                                -0.485201000000      0.574611000000      1.460886000000
  H                                                -0.398921000000     -1.894520000000      0.109807000000
  H                                                 2.947109000000      0.655108000000      0.032070000000
  H                                                 0.799648000000      2.471836000000     -0.067292000000
  H                                                -2.181205000000      1.640492000000     -0.153284000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Jul 28 19:15:45 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.590679   -0.628285   -0.073741
      2          8           0        1.211559   -1.775276    0.013291
      3          8           0        2.868849   -0.318264    0.051126
      4          6           0        0.664406    0.550522   -0.353134
      5          6           0       -0.685188    0.564721    0.381775
      6          6           0       -1.733895   -0.516464    0.037464
      7          8           0       -2.859483   -0.150461   -0.205746
      8          8           0        1.393505    1.714785    0.033235
      9          8           0       -1.246997    1.824753    0.059042
     10          8           0       -1.388076   -1.783485    0.060653
     11          1           0        0.467689    0.633094   -1.429180
     12          1           0       -0.485201    0.574611    1.460886
     13          1           0       -0.398921   -1.894520    0.109807
     14          1           0        2.947109    0.655108    0.032070
     15          1           0        0.799648    2.471836   -0.067292
     16          1           0       -2.181205    1.640492   -0.153284
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.211154   0.000000
     3  O    1.321145   2.207017   0.000000
     4  C    1.525001   2.417226   2.403702   0.000000
     5  C    2.609661   3.034636   3.676978   1.536781   0.000000
     6  C    3.328312   3.203263   4.607030   2.653841   1.545088
     7  O    4.477687   4.388779   5.736543   3.595955   2.363096
     8  O    2.353784   3.494857   2.512021   1.427016   2.401061
     9  O    3.753323   4.359679   4.640342   2.333884   1.416851
    10  O    3.197738   2.600079   4.502041   3.135521   2.472093
    11  H    2.165502   2.904189   2.976904   1.096992   2.147873
    12  H    2.848037   3.239829   3.746238   2.147753   1.097530
    13  H    2.365491   1.617770   3.628546   2.706143   2.490739
    14  H    1.870346   2.986512   0.976699   2.317338   3.650212
    15  H    3.199456   4.267801   3.475669   1.947163   2.458350
    16  H    4.402361   4.817267   5.420475   3.053764   1.918760
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.208328   0.000000
     8  O    3.841760   4.650179   0.000000
     9  O    2.391408   2.563532   2.642917   0.000000
    10  O    1.313572   2.214221   4.469434   3.610995   0.000000
    11  H    2.884354   3.630540   2.041041   2.564177   3.391654
    12  H    2.185363   2.990085   2.620634   2.026908   2.887292
    13  H    1.920007   3.032438   4.030600   3.815076   0.996580
    14  H    4.825392   5.867027   1.880586   4.354230   4.974071
    15  H    3.919152   4.503871   0.967418   2.150217   4.786467
    16  H    2.211093   1.915809   3.580344   0.975592   3.521142
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.043666   0.000000
    13  H    3.083557   2.815931   0.000000
    14  H    2.878065   3.718702   4.207441   0.000000
    15  H    2.312122   2.754202   4.531335   2.814598   0.000000
    16  H    3.107958   2.572562   3.967627   5.225413   3.095806
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.42D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.590679   -0.628285   -0.073741
      2          8           0        1.211559   -1.775276    0.013291
      3          8           0        2.868849   -0.318265    0.051126
      4          6           0        0.664406    0.550522   -0.353134
      5          6           0       -0.685188    0.564721    0.381775
      6          6           0       -1.733895   -0.516464    0.037464
      7          8           0       -2.859483   -0.150460   -0.205746
      8          8           0        1.393506    1.714785    0.033235
      9          8           0       -1.246996    1.824753    0.059042
     10          8           0       -1.388076   -1.783485    0.060653
     11          1           0        0.467689    0.633094   -1.429180
     12          1           0       -0.485201    0.574611    1.460886
     13          1           0       -0.398921   -1.894520    0.109807
     14          1           0        2.947109    0.655107    0.032070
     15          1           0        0.799649    2.471836   -0.067292
     16          1           0       -2.181204    1.640493   -0.153284
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0975833           1.0678559           0.7247209
 Leave Link  202 at Wed Jul 28 19:15:45 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 328 were deleted.
 There are   304 symmetry adapted cartesian basis functions of A   symmetry.
 There are   284 symmetry adapted basis functions of A   symmetry.
   284 basis functions,   542 primitive gaussians,   304 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       580.0099000626 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.373000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.373000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Jul 28 19:15:48 2021, MaxMem=  5637144576 cpu:              17.5 elap:               2.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   284 RedAO= T EigKep=  2.31D-05  NBF=   284
 NBsUse=   284 1.00D-06 EigRej= -1.00D+00 NBFU=   284
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   304   304   304   304   304 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Wed Jul 28 19:15:49 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Jul 28 19:15:49 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_180_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Jul 28 19:15:50 2021, MaxMem=  5637144576 cpu:               4.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636954416 LenY=  5636861559
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -605.913688310433    
 DIIS: error= 1.14D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -605.913688310433     IErMin= 1 ErrMin= 1.14D-04
 ErrMax= 1.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-05 BMatP= 1.39D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.14D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.439 Goal=   None    Shift=    0.000
 RMSDP=7.41D-05 MaxDP=3.01D-03              OVMax= 1.09D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.78D-05    CP:  1.00D+00
 E= -605.913711078600     Delta-E=       -0.000022768168 Rises=F Damp=F
 DIIS: error= 7.06D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -605.913711078600     IErMin= 2 ErrMin= 7.06D-05
 ErrMax= 7.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.63D-06 BMatP= 1.39D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.201D+00 0.799D+00
 Coeff:      0.201D+00 0.799D+00
 Gap=     0.440 Goal=   None    Shift=    0.000
 RMSDP=1.87D-05 MaxDP=7.34D-04 DE=-2.28D-05 OVMax= 4.01D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.86D-05    CP:  1.00D+00  9.97D-01
 E= -605.913713200005     Delta-E=       -0.000002121405 Rises=F Damp=F
 DIIS: error= 4.56D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -605.913713200005     IErMin= 3 ErrMin= 4.56D-05
 ErrMax= 4.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-06 BMatP= 4.63D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D+00 0.427D+00 0.686D+00
 Coeff:     -0.114D+00 0.427D+00 0.686D+00
 Gap=     0.440 Goal=   None    Shift=    0.000
 RMSDP=9.44D-06 MaxDP=3.69D-04 DE=-2.12D-06 OVMax= 2.66D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.97D-06    CP:  1.00D+00  1.09D+00  9.25D-01
 E= -605.913714852171     Delta-E=       -0.000001652166 Rises=F Damp=F
 DIIS: error= 9.68D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -605.913714852171     IErMin= 4 ErrMin= 9.68D-06
 ErrMax= 9.68D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-08 BMatP= 1.95D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.353D-01 0.931D-01 0.190D+00 0.752D+00
 Coeff:     -0.353D-01 0.931D-01 0.190D+00 0.752D+00
 Gap=     0.440 Goal=   None    Shift=    0.000
 RMSDP=1.72D-06 MaxDP=1.08D-04 DE=-1.65D-06 OVMax= 9.57D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.33D-06    CP:  1.00D+00  1.09D+00  9.70D-01  1.09D+00
 E= -605.913714881424     Delta-E=       -0.000000029252 Rises=F Damp=F
 DIIS: error= 4.76D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -605.913714881424     IErMin= 5 ErrMin= 4.76D-06
 ErrMax= 4.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-08 BMatP= 3.52D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.676D-02-0.506D-01-0.567D-01 0.426D+00 0.674D+00
 Coeff:      0.676D-02-0.506D-01-0.567D-01 0.426D+00 0.674D+00
 Gap=     0.440 Goal=   None    Shift=    0.000
 RMSDP=8.85D-07 MaxDP=4.31D-05 DE=-2.93D-08 OVMax= 3.44D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.78D-07    CP:  1.00D+00  1.09D+00  9.91D-01  1.17D+00  9.08D-01
 E= -605.913714896193     Delta-E=       -0.000000014770 Rises=F Damp=F
 DIIS: error= 5.63D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -605.913714896193     IErMin= 6 ErrMin= 5.63D-07
 ErrMax= 5.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.25D-10 BMatP= 1.71D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.404D-02-0.164D-01-0.257D-01 0.362D-01 0.985D-01 0.903D+00
 Coeff:      0.404D-02-0.164D-01-0.257D-01 0.362D-01 0.985D-01 0.903D+00
 Gap=     0.440 Goal=   None    Shift=    0.000
 RMSDP=2.46D-07 MaxDP=9.40D-06 DE=-1.48D-08 OVMax= 1.21D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.08D-07    CP:  1.00D+00  1.09D+00  9.96D-01  1.18D+00  9.29D-01
                    CP:  1.13D+00
 E= -605.913714896899     Delta-E=       -0.000000000706 Rises=F Damp=F
 DIIS: error= 2.74D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -605.913714896899     IErMin= 7 ErrMin= 2.74D-07
 ErrMax= 2.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.65D-11 BMatP= 3.25D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.248D-03 0.223D-02-0.158D-03-0.425D-01-0.747D-01 0.286D+00
 Coeff-Com:  0.829D+00
 Coeff:      0.248D-03 0.223D-02-0.158D-03-0.425D-01-0.747D-01 0.286D+00
 Coeff:      0.829D+00
 Gap=     0.440 Goal=   None    Shift=    0.000
 RMSDP=1.03D-07 MaxDP=3.81D-06 DE=-7.06D-10 OVMax= 3.93D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.58D-08    CP:  1.00D+00  1.09D+00  9.94D-01  1.18D+00  9.50D-01
                    CP:  1.25D+00  9.93D-01
 E= -605.913714897040     Delta-E=       -0.000000000141 Rises=F Damp=F
 DIIS: error= 8.39D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -605.913714897040     IErMin= 8 ErrMin= 8.39D-08
 ErrMax= 8.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.64D-12 BMatP= 8.65D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.427D-03 0.234D-02 0.268D-02-0.103D-01-0.297D-01-0.449D-01
 Coeff-Com:  0.127D+00 0.953D+00
 Coeff:     -0.427D-03 0.234D-02 0.268D-02-0.103D-01-0.297D-01-0.449D-01
 Coeff:      0.127D+00 0.953D+00
 Gap=     0.440 Goal=   None    Shift=    0.000
 RMSDP=3.86D-08 MaxDP=1.52D-06 DE=-1.41D-10 OVMax= 2.00D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.91D-08    CP:  1.00D+00  1.09D+00  9.94D-01  1.18D+00  9.50D-01
                    CP:  1.27D+00  1.08D+00  1.26D+00
 E= -605.913714897039     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 3.89D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -605.913714897040     IErMin= 9 ErrMin= 3.89D-08
 ErrMax= 3.89D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-12 BMatP= 6.64D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.215D-03 0.885D-03 0.120D-02-0.534D-03-0.759D-02-0.434D-01
 Coeff-Com: -0.165D-01 0.440D+00 0.626D+00
 Coeff:     -0.215D-03 0.885D-03 0.120D-02-0.534D-03-0.759D-02-0.434D-01
 Coeff:     -0.165D-01 0.440D+00 0.626D+00
 Gap=     0.440 Goal=   None    Shift=    0.000
 RMSDP=9.94D-09 MaxDP=6.32D-07 DE= 9.09D-13 OVMax= 5.63D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -605.913714897     A.U. after    9 cycles
            NFock=  9  Conv=0.99D-08     -V/T= 2.0050
 KE= 6.028910117917D+02 PE=-2.584928576973D+03 EE= 7.961139502218D+02
 Leave Link  502 at Wed Jul 28 19:18:27 2021, MaxMem=  5637144576 cpu:            1244.0 elap:             156.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   284
 NBasis=   284 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    284 NOA=    39 NOB=    39 NVA=   245 NVB=   245

 **** Warning!!: The largest alpha MO coefficient is  0.37698575D+02

 Leave Link  801 at Wed Jul 28 19:18:27 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4958 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.59D-13 8.33D-09 XBig12= 1.00D+00 2.06D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.59D-13 8.33D-09 XBig12= 2.43D-01 5.27D-02.
     11 vectors produced by pass  2 Test12= 1.59D-13 8.33D-09 XBig12= 4.41D-02 3.94D-02.
     11 vectors produced by pass  3 Test12= 1.59D-13 8.33D-09 XBig12= 4.62D-03 1.11D-02.
     11 vectors produced by pass  4 Test12= 1.59D-13 8.33D-09 XBig12= 4.94D-04 2.81D-03.
     11 vectors produced by pass  5 Test12= 1.59D-13 8.33D-09 XBig12= 2.67D-05 6.57D-04.
     11 vectors produced by pass  6 Test12= 1.59D-13 8.33D-09 XBig12= 9.96D-07 1.18D-04.
     11 vectors produced by pass  7 Test12= 1.59D-13 8.33D-09 XBig12= 2.89D-08 1.43D-05.
     11 vectors produced by pass  8 Test12= 1.59D-13 8.33D-09 XBig12= 9.34D-10 3.02D-06.
     11 vectors produced by pass  9 Test12= 1.59D-13 8.33D-09 XBig12= 2.39D-11 5.40D-07.
      8 vectors produced by pass 10 Test12= 1.59D-13 8.33D-09 XBig12= 4.34D-13 8.78D-08.
      1 vectors produced by pass 11 Test12= 1.59D-13 8.33D-09 XBig12= 8.69D-15 9.56D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.875972D+02
      2  0.500678D+00  0.783548D+02
      3  0.247640D+01 -0.958036D+00  0.528427D+02
 Isotropic polarizability for W=    0.088559       72.93 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.104525D+02  0.162334D+02 -0.864346D+01
      2   0.410780D+01 -0.919493D+01  0.566049D+01
      3   0.634466D+01 -0.703848D+01  0.298297D+01
      4   0.169983D+02 -0.392796D+01  0.311670D-01
      5  -0.803129D+01  0.739859D+00 -0.411998D+01
      6  -0.510061D+00  0.132050D+01  0.157386D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.202301D+01 -0.106084D+01 -0.662480D+01
      2  -0.285163D+01 -0.106957D+01 -0.366496D+01
      3  -0.120208D+02 -0.939009D+00 -0.462678D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.708692D+00 -0.433999D+01 -0.227770D+02
      2  -0.612169D+00  0.541228D+00 -0.104646D+02
      3   0.764873D+00  0.803576D+01 -0.124992D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.588950D+00  0.359099D+00  0.190988D+01
      2   0.359099D+00  0.915471D+00  0.847384D+00
      3   0.190988D+01  0.847384D+00  0.164238D+00
 OR G Eigenvalues:    -2.1825     0.3709     2.3023  Iso=    -0.1636
 Eigenvectors:
   (1)   0.756405   0.089555  -0.647944
   (2)  -0.410403   0.836319  -0.363510
   (3)   0.509334   0.540879   0.669349
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1636 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -55.27 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40470 ScalPx= 5.49D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.14D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.65D-14 2.78D-09 XBig12= 1.00D+00 3.67D-01.
     30 vectors produced by pass  1 Test12= 2.65D-14 2.78D-09 XBig12= 6.77D-02 3.85D-02.
     30 vectors produced by pass  2 Test12= 2.65D-14 2.78D-09 XBig12= 4.02D-03 8.60D-03.
     30 vectors produced by pass  3 Test12= 2.65D-14 2.78D-09 XBig12= 5.96D-05 8.58D-04.
     30 vectors produced by pass  4 Test12= 2.65D-14 2.78D-09 XBig12= 1.05D-06 9.13D-05.
     30 vectors produced by pass  5 Test12= 2.65D-14 2.78D-09 XBig12= 2.25D-08 1.08D-05.
     30 vectors produced by pass  6 Test12= 2.65D-14 2.78D-09 XBig12= 2.44D-10 1.34D-06.
     30 vectors produced by pass  7 Test12= 2.65D-14 2.78D-09 XBig12= 2.26D-12 1.61D-07.
      8 vectors produced by pass  8 Test12= 2.65D-14 2.78D-09 XBig12= 1.90D-14 1.20D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   248 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 1.61D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 1.61D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.29D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.875972D+02  0.500678D+00  0.247640D+01
      2   0.500678D+00  0.783548D+02 -0.958036D+00
      3   0.247640D+01 -0.958036D+00  0.528427D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.202301D+01 -0.106084D+01 -0.662480D+01
      2  -0.285163D+01 -0.106957D+01 -0.366496D+01
      3  -0.120208D+02 -0.939009D+00 -0.462678D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.104525D+02  0.162334D+02 -0.864346D+01
      2   0.410780D+01 -0.919493D+01  0.566049D+01
      3   0.634466D+01 -0.703848D+01  0.298297D+01
      4   0.169983D+02 -0.392796D+01  0.311670D-01
      5  -0.803129D+01  0.739859D+00 -0.411998D+01
      6  -0.510061D+00  0.132050D+01  0.157386D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.188878D+01 -0.672601D+00 -0.145693D+00  0.258310D+01  0.189865D+01
      2  -0.672601D+00  0.224763D+01  0.137033D+00  0.189865D+01  0.514721D+01
      3  -0.145693D+00  0.137033D+00  0.390884D+00 -0.351028D-01 -0.393574D+00
                 6             7             8             9            10 
      1  -0.351028D-01 -0.728342D+00  0.474626D+00  0.394423D+00 -0.282933D+01
      2  -0.393574D+00  0.474626D+00 -0.451230D+00  0.256079D+00 -0.226818D+01
      3   0.104570D+00  0.394423D+00  0.256079D+00 -0.559170D+00  0.182039D+00
                11            12            13            14            15 
      1  -0.226818D+01  0.182039D+00 -0.558380D+01 -0.780806D+00  0.789212D-01
      2  -0.115644D+01  0.120404D+00 -0.780806D+00 -0.115091D+02  0.390070D+00
      3   0.120404D+00 -0.522535D+00  0.789212D-01  0.390070D+00 -0.182586D+01
                16            17            18            19            20 
      1   0.313002D+00  0.967640D-01 -0.457925D+00  0.913774D+01 -0.224333D+00
      2   0.967640D-01  0.405459D+00 -0.269746D+01 -0.224333D+00  0.548527D+00
      3  -0.457925D+00 -0.269746D+01  0.475549D+00  0.262314D+00  0.613523D-01
                21            22            23            24            25 
      1   0.262314D+00 -0.255006D+01  0.125669D+01  0.285829D-01  0.103077D+01
      2   0.613523D-01  0.125669D+01 -0.344308D+01  0.108770D+00 -0.223787D+00
      3   0.128009D+01  0.285829D-01  0.108770D+00 -0.180591D+00  0.239944D+01
                26            27            28            29            30 
      1  -0.223787D+00  0.239944D+01  0.384640D+01 -0.824914D+00 -0.663456D+00
      2   0.154835D+00  0.198917D+00 -0.824914D+00 -0.155208D+01 -0.437989D+00
      3   0.198917D+00  0.439438D+00 -0.663456D+00 -0.437989D+00  0.144422D+01
                31            32            33            34            35 
      1  -0.116428D+01 -0.233133D+01  0.696381D-01 -0.155448D+01 -0.917115D+00
      2  -0.233133D+01 -0.220296D+01 -0.306396D+00 -0.917115D+00  0.712651D-01
      3   0.696381D-01 -0.306396D+00  0.110463D-01  0.167554D+01 -0.487602D+00
                36            37            38            39            40 
      1   0.167554D+01 -0.410529D+01  0.122504D+01  0.402585D+00 -0.759527D+00
      2  -0.487602D+00  0.122504D+01  0.191296D+01  0.393611D-01  0.237105D+01
      3   0.630784D+01  0.402585D+00  0.393611D-01 -0.139114D+01  0.223488D+00
                41            42            43            44            45 
      1   0.237105D+01  0.223488D+00  0.942764D+00 -0.706820D+00 -0.188453D+01
      2  -0.963417D+00  0.406732D+00 -0.706820D+00  0.357562D+00  0.608218D+00
      3   0.406732D+00  0.606793D+00 -0.188453D+01  0.608218D+00 -0.654775D+01
                46            47            48            49            50 
      1   0.648284D+01 -0.267758D+01  0.107032D+01 -0.405992D+01 -0.139766D+01
      2  -0.267758D+01  0.947393D+00 -0.798234D-01 -0.139766D+01  0.193301D+00
      3   0.107032D+01 -0.798234D-01  0.516634D+00 -0.252094D+00 -0.263068D+00
                51            52            53            54            55 
      1  -0.252094D+00  0.159213D+01 -0.242858D-01  0.362294D+00 -0.148893D+02
      2  -0.263068D+00 -0.242858D-01  0.291989D+00 -0.556419D+00  0.176228D+01
      3  -0.757154D+00  0.362294D+00 -0.556419D+00  0.835438D+00 -0.135621D+01
                56            57            58            59            60 
      1   0.176228D+01 -0.135621D+01  0.186225D+01 -0.233215D+01  0.133697D+00
      2  -0.380562D+01  0.179923D+00 -0.233215D+01  0.203044D+01 -0.365289D+00
      3   0.179923D+00 -0.217864D+01  0.133697D+00 -0.365289D+00  0.821417D+00
                61            62            63            64            65 
      1  -0.196911D+01  0.884292D-01 -0.352758D+01  0.525742D+01  0.141522D+01
      2   0.884292D-01 -0.815930D+00  0.524032D+00  0.141522D+01  0.458822D+01
      3  -0.352758D+01  0.524032D+00 -0.165017D+01  0.503399D+00  0.203790D-02
                66            67            68            69            70 
      1   0.503399D+00  0.587085D+00  0.365347D+01 -0.168967D+00  0.113415D+01
      2   0.203790D-02  0.365347D+01  0.178590D+01  0.422337D+00  0.415241D+00
      3   0.248598D+00 -0.168967D+00  0.422337D+00 -0.280902D+00  0.627195D+00
                71            72            73            74            75 
      1   0.415241D+00  0.627195D+00  0.252942D+01  0.165926D+01  0.180587D+00
      2   0.122001D+01  0.108568D+01  0.165926D+01  0.150821D+01 -0.252293D+00
      3   0.108568D+01  0.202975D+00  0.180587D+00 -0.252293D+00  0.852813D+00
                76            77            78            79            80 
      1   0.234887D+01 -0.155174D+01 -0.403149D+00  0.593474D+00  0.727542D-01
      2  -0.155174D+01  0.715343D+01  0.985236D-01  0.727542D-01  0.283466D+00
      3  -0.403149D+00  0.985236D-01  0.378361D+00 -0.227521D+00  0.122042D+01
                81            82            83            84            85 
      1  -0.227521D+00 -0.791381D+01 -0.152487D+01  0.384227D-01  0.582730D+00
      2   0.122042D+01 -0.152487D+01 -0.136964D+01  0.138875D+00 -0.329058D+00
      3   0.372189D+00  0.384227D-01  0.138875D+00 -0.152110D+00  0.240015D+00
                86            87            88            89            90 
      1  -0.329058D+00  0.240015D+00 -0.205206D+00  0.177152D+00  0.159220D+00
      2  -0.740217D+01  0.112556D+00  0.177152D+00 -0.181444D+00 -0.201714D+01
      3   0.112556D+00 -0.114854D+01  0.159220D+00 -0.201714D+01  0.123836D+00
                91            92            93            94            95 
      1  -0.154043D+01  0.123801D+00 -0.102828D+01  0.178432D+00  0.420091D+00
      2   0.123801D+00  0.114904D-01  0.588653D-01  0.420091D+00  0.629839D+00
      3  -0.102828D+01  0.588653D-01 -0.127256D+01 -0.731767D-01 -0.110445D+01
                96            97            98            99           100 
      1  -0.731767D-01 -0.147894D+01  0.277448D+00 -0.604218D+00  0.164061D+01
      2  -0.110445D+01  0.277448D+00 -0.183616D+01  0.606039D+00 -0.220018D+00
      3   0.555695D+00 -0.604218D+00  0.606039D+00 -0.777483D+01  0.111023D+01
               101           102           103           104           105 
      1  -0.220018D+00  0.111023D+01 -0.180641D+00 -0.328356D+00 -0.595481D-02
      2  -0.114761D+00 -0.342956D-01 -0.328356D+00  0.277638D+00  0.108154D+01
      3  -0.342956D-01  0.131641D+01 -0.595481D-02  0.108154D+01  0.243552D+00
               106           107           108           109           110 
      1   0.173369D+01  0.210013D+00  0.970720D+00  0.910658D+01 -0.416757D+00
      2   0.210013D+00  0.156054D+01  0.964119D-01 -0.416757D+00  0.138610D+01
      3   0.970720D+00  0.964119D-01  0.810633D+01 -0.738141D-01 -0.751835D-01
               111           112           113           114           115 
      1  -0.738141D-01 -0.239327D+00  0.300900D+00 -0.722058D-01  0.275997D+00
      2  -0.751835D-01  0.300900D+00 -0.161571D+01  0.930165D-01 -0.922523D-01
      3   0.384942D+00 -0.722058D-01  0.930165D-01 -0.500736D+00 -0.521289D-01
               116           117           118           119           120 
      1  -0.922523D-01 -0.521289D-01  0.187457D+01  0.134847D+01  0.122258D-01
      2   0.227309D+00 -0.528804D+00  0.134847D+01  0.681100D+00  0.377328D-01
      3  -0.528804D+00  0.132003D+00  0.122258D-01  0.377328D-01  0.682538D+00
               121           122           123           124           125 
      1   0.388089D+01  0.922794D+00  0.110875D+00 -0.146625D+00  0.373074D-01
      2   0.922794D+00  0.435825D+01 -0.309691D-01  0.373074D-01 -0.444218D-01
      3   0.110875D+00 -0.309691D-01  0.634659D+00  0.657424D+00  0.348959D+00
               126           127           128           129           130 
      1   0.657424D+00 -0.180309D+01  0.719170D+00 -0.292292D-01  0.195982D+01
      2   0.348959D+00  0.719170D+00 -0.240496D+01 -0.111093D-01 -0.874377D+00
      3   0.884292D-01 -0.292292D-01 -0.111093D-01 -0.314889D+00  0.246232D-01
               131           132           133           134           135 
      1  -0.874377D+00  0.246232D-01 -0.352887D+00  0.547058D-01  0.926564D-01
      2   0.596518D+01 -0.145521D+00  0.547058D-01 -0.514256D+00  0.822823D+00
      3  -0.145521D+00  0.112686D+01  0.926564D-01  0.822823D+00 -0.755277D-01
               136           137           138           139           140 
      1  -0.490552D+01  0.576008D+00 -0.465446D+00  0.554366D+00 -0.898167D+00
      2   0.576008D+00 -0.342814D+01  0.115109D+00 -0.898167D+00 -0.404733D+00
      3  -0.465446D+00  0.115109D+00 -0.128526D+01  0.100810D+00 -0.104283D+00
               141           142           143           144 
      1   0.100810D+00 -0.118039D+01  0.598184D-01 -0.585000D+00
      2  -0.104283D+00  0.598184D-01 -0.728993D+00  0.519845D+00
      3   0.210831D+00 -0.585000D+00  0.519845D+00 -0.476586D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.555386D-01 -0.594724D+00  0.116211D+01 -0.272940D+01  0.111891D+01
      2   0.117829D+01 -0.151376D+01 -0.531630D+01 -0.258088D+01 -0.324708D+00
      3  -0.181050D+00 -0.450062D+01  0.741317D+00 -0.825895D+01 -0.525184D+01
                 6             7             8             9            10 
      1   0.774165D+01 -0.873953D+00  0.104824D+02 -0.193974D+01  0.472594D+00
      2   0.190232D+00 -0.138373D+02  0.301864D+01 -0.275926D+01 -0.160546D+00
      3   0.138458D+01  0.279618D+01  0.161599D+01 -0.178545D+01  0.798180D+01
                11            12            13            14            15 
      1   0.248638D+00 -0.710934D+00  0.408771D+00  0.135474D+01 -0.101098D+02
      2   0.226019D+00  0.329931D+01  0.252490D+00  0.541652D+00 -0.163936D+01
      3  -0.754849D+00 -0.610185D+00  0.189257D+02  0.168589D+02 -0.888419D+00
                16            17            18            19            20 
      1   0.157726D+01 -0.551873D+00  0.123554D+01  0.404902D+00 -0.280917D-01
      2  -0.280910D+01 -0.517025D+01  0.109598D+01  0.126921D+01  0.866875D-01
      3  -0.173312D+01 -0.440271D+00  0.511158D+01 -0.239061D+01 -0.844876D+01
                21            22            23            24            25 
      1  -0.285894D+00  0.461372D+00 -0.618949D+00 -0.244854D+01  0.168927D+01
      2   0.928719D+01  0.765188D+00  0.235340D+00 -0.159496D+01  0.514550D+01
      3  -0.158859D+00  0.252831D+00  0.143643D+02 -0.147247D+00 -0.874557D+00
                26            27            28            29            30 
      1   0.132707D+01  0.373741D+00  0.136310D+01  0.652593D+00  0.163641D+01
      2  -0.182132D+01  0.166021D+01 -0.179778D+01  0.138178D+00  0.234031D+01
      3  -0.129591D+01 -0.138473D+01 -0.106557D+01 -0.211710D+01 -0.104858D+00
                31            32            33            34            35 
      1   0.271987D+01  0.134465D+01 -0.161809D+01  0.134409D+00  0.169944D+01
      2   0.143151D+01 -0.196150D+00 -0.239514D+01 -0.331070D+01 -0.829925D+00
      3   0.599271D+01  0.101668D+01 -0.464832D+00  0.569338D-01 -0.991477D+00
                36            37            38            39            40 
      1  -0.418534D+00 -0.139576D+01  0.168382D+01 -0.157893D+01  0.991837D+00
      2   0.275012D+01  0.268783D+00 -0.354578D+00  0.264379D+01 -0.119923D+01
      3   0.977296D+00  0.154880D+01 -0.142320D+01  0.404075D+00  0.686341D+01
                41            42            43            44            45 
      1  -0.299119D+00 -0.147725D+01 -0.111771D+00  0.211426D+01  0.758679D+00
      2  -0.396054D+00  0.207656D+01 -0.346283D+01 -0.717408D+00  0.296678D+01
      3   0.180214D+01  0.295656D+00  0.194962D+00 -0.528146D+00 -0.417244D+00
                46            47            48            49            50 
      1   0.489748D+00 -0.463081D+01 -0.724101D+00 -0.287151D+01 -0.121000D+01
      2   0.277767D+01  0.202566D+01 -0.821692D+01  0.194700D+01  0.780030D+00
      3  -0.589976D+01  0.693311D+01 -0.111861D+01  0.255559D+01 -0.422821D+01
                51            52            53            54            55 
      1   0.587392D+01  0.234895D+01  0.130469D+02  0.108152D+01 -0.845769D+00
      2   0.178063D+01 -0.130831D+02 -0.257437D+01 -0.517739D+01  0.116609D+01
      3   0.132536D+01 -0.115498D+01  0.515694D+01 -0.725723D+00  0.971029D+01
                56            57            58            59            60 
      1   0.211534D+01  0.869796D-01  0.697924D+00 -0.481043D+00 -0.335381D+01
      2  -0.705384D+00  0.134284D+02 -0.692131D+00  0.901972D+00 -0.161551D+01
      3  -0.201495D+02  0.108771D+01 -0.267148D+01  0.931673D+01 -0.104788D+01
                61            62            63            64            65 
      1  -0.266335D+01  0.147519D+01 -0.102017D+01 -0.726456D+00 -0.252723D+00
      2   0.513010D+01  0.117038D+01  0.476431D+01  0.825542D+00  0.495382D+00
      3   0.850812D+00 -0.435182D+01  0.302104D+01  0.117704D+02 -0.111433D+02
                66            67            68            69            70 
      1  -0.264059D+01 -0.707549D+00 -0.241916D+01 -0.393399D+01 -0.114860D+01
      2   0.399399D+01 -0.685059D+00  0.308938D+00  0.175358D+01 -0.165557D+01
      3   0.456911D+00 -0.378555D+01  0.476164D+01 -0.339837D+00  0.256649D+01
                71            72            73            74            75 
      1   0.302962D+01 -0.176236D+01 -0.137330D+01 -0.762476D+00 -0.365566D+00
      2   0.127679D+01  0.993650D+00  0.292592D+00 -0.565226D+00  0.185556D+01
      3  -0.147005D+01 -0.346754D+00  0.132179D+02  0.773208D+01  0.122475D+01
                76            77            78            79            80 
      1  -0.561344D+00  0.173696D+01 -0.629596D+01 -0.489776D-01  0.111028D+01
      2   0.619311D+00  0.977932D-01 -0.225598D+01 -0.298146D+01 -0.770577D-01
      3   0.941278D+01  0.851376D+01 -0.145108D-02  0.216334D+01  0.189283D+01
                81            82            83            84            85 
      1   0.479414D+00  0.349855D+00  0.818109D+00 -0.785556D+00 -0.401840D+00
      2  -0.189487D+00  0.401274D+00 -0.344908D+00  0.369612D+01 -0.315473D+00
      3   0.120002D+01  0.219647D+02 -0.563284D+01 -0.203730D-01  0.599068D+01
                86            87            88            89            90 
      1  -0.788997D+00 -0.771310D+01 -0.184298D+01 -0.235523D+01 -0.296323D+00
      2  -0.223841D+00  0.342118D+00 -0.115525D+01  0.393391D+01  0.430014D+00
      3  -0.819114D+01  0.533418D-01  0.114987D+01 -0.142569D+01 -0.337950D+01
                91            92            93            94            95 
      1   0.152289D-01  0.309504D+00  0.646143D+00  0.380414D+00 -0.637810D+00
      2  -0.196922D+01  0.125169D+00 -0.153717D+00  0.551712D-01 -0.750261D+00
      3  -0.101483D+01 -0.448449D+00 -0.490430D+00  0.893571D+00 -0.406349D+00
                96            97            98            99           100 
      1  -0.109499D-01  0.198002D+00  0.306557D+01  0.247318D+01 -0.218705D+00
      2   0.158397D+00 -0.345611D+01  0.366524D+00 -0.432346D+01 -0.200707D+01
      3   0.609747D+00 -0.101552D+01  0.133641D+01 -0.925255D+00  0.625161D+00
               101           102           103           104           105 
      1   0.391295D+00 -0.633632D+00  0.161074D+00 -0.194974D+00  0.530074D-01
      2  -0.173922D+00 -0.151841D+00  0.109070D+00 -0.542261D+00 -0.115563D+00
      3  -0.869739D+00  0.505506D+00  0.699304D+00 -0.222355D+00  0.679471D+00
               106           107           108           109           110 
      1  -0.378226D+00  0.297415D+01 -0.288930D+01 -0.649408D+00  0.611710D-02
      2  -0.396429D+01  0.924562D-01 -0.451325D+01 -0.892416D+00  0.124472D+00
      3   0.669982D+00  0.785918D+00  0.326244D+00 -0.280722D+02  0.762169D+01
               111           112           113           114           115 
      1   0.111903D+01 -0.644191D-01  0.658942D-01 -0.504691D+00  0.136364D+00
      2  -0.297237D+01  0.125616D+00 -0.286855D+00  0.336923D+00 -0.311203D+01
      3   0.228804D+00  0.376081D+01 -0.188532D+01  0.203088D+00 -0.100746D+01
               116           117           118           119           120 
      1   0.481690D+00  0.187951D+00  0.253601D+00 -0.172277D+00 -0.890033D+00
      2   0.507129D+00  0.360353D-01  0.170780D-01 -0.144377D+00  0.100606D+01
      3   0.424182D+00 -0.166242D+00 -0.456235D+01 -0.106572D+01 -0.104840D+00
               121           122           123           124           125 
      1  -0.264653D-01  0.648243D+00  0.123087D+00  0.227899D+00  0.136798D+01
      2   0.804015D-01  0.120334D+00  0.287873D+01  0.326661D+00  0.157171D+01
      3  -0.151758D+01 -0.200052D+02 -0.877222D-01  0.675445D-02  0.418105D+00
               126           127           128           129           130 
      1   0.481765D-01 -0.128483D+00 -0.344837D-01  0.111438D+01 -0.199975D+00
      2   0.366205D-01 -0.453175D+00  0.141617D+00 -0.681105D+00  0.269640D+00
      3  -0.931522D+00 -0.968122D+01  0.558931D+01  0.457493D-01  0.848456D+01
               131           132           133           134           135 
      1   0.242458D+00 -0.270942D+01 -0.170855D+00 -0.791622D+00  0.161721D+00
      2  -0.284363D+00  0.891709D+00 -0.138779D+01  0.730910D+00  0.129447D+00
      3  -0.114473D+02  0.193182D+00 -0.130364D+01  0.750740D+00 -0.617929D+00
               136           137           138           139           140 
      1   0.193332D+01  0.250166D+00  0.285018D+01  0.503108D+00  0.617258D+00
      2   0.321815D+00 -0.401031D-01  0.236279D+01 -0.182612D+00  0.184331D-01
      3  -0.142020D+02 -0.104992D+02 -0.160768D+01 -0.379919D+01 -0.474614D+01
               141           142           143           144 
      1  -0.373605D-01  0.117700D+01  0.701238D+00  0.104752D+01
      2  -0.792359D+00 -0.185860D+00 -0.172839D+01  0.861444D+00
      3  -0.528807D+00 -0.336605D+01 -0.187774D+01  0.441601D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.207994D+02  0.413177D+01 -0.122133D+00  0.215113D+01  0.242308D+02
      2   0.119315D+02 -0.624266D+01  0.128856D+01 -0.221372D+00 -0.302050D+02
      3   0.886791D+01  0.211090D+01 -0.116643D+01 -0.192976D+01  0.597420D+01
      4  -0.382487D+01  0.132160D+00  0.257133D+00 -0.387425D+01  0.812367D+01
      5  -0.948381D+00 -0.404371D+00 -0.850202D+01 -0.106813D+00  0.194571D+00
      6  -0.274920D+00  0.401271D+00 -0.342179D+01  0.877794D+00 -0.101062D+01
                 6             7             8             9            10 
      1  -0.110335D+01 -0.409361D+01 -0.250365D+01 -0.390759D+01 -0.387325D+01
      2  -0.238798D+00  0.301263D+01  0.254464D+01 -0.674615D+01  0.678700D+01
      3   0.134215D+01  0.108097D+01 -0.409925D-01  0.106537D+02 -0.291375D+01
      4  -0.352763D+00  0.186252D+01 -0.145085D+01  0.337266D+00 -0.250766D+01
      5  -0.217667D+01  0.366180D+01  0.173456D+01 -0.303505D+01  0.363553D+00
      6  -0.918819D+01 -0.539887D+00  0.220941D+01  0.184691D+01 -0.233682D+00
                11            12            13            14            15 
      1  -0.943499D+01  0.234067D+00 -0.148294D+02 -0.368404D+02  0.192058D+00
      2   0.817678D+01 -0.276964D+00  0.941190D+01  0.528442D+02 -0.905283D-01
      3   0.125821D+01  0.428976D-01  0.541748D+01 -0.160038D+02 -0.101529D+00
      4   0.152396D+02 -0.596648D+00  0.140503D+02 -0.254601D+02  0.438395D+00
      5  -0.106166D+00  0.520037D+01  0.243898D-01 -0.133115D+00 -0.311438D+01
      6  -0.131959D-01  0.155732D+01 -0.897917D+00  0.101879D+01  0.154536D+02
                16            17            18            19            20 
      1   0.643346D+00  0.151582D+01 -0.101674D+02  0.654289D+02 -0.178285D+01
      2  -0.982565D+00 -0.124852D+01  0.764787D+01 -0.393446D+02  0.143816D+01
      3   0.339219D+00 -0.267300D+00  0.251950D+01 -0.260842D+02  0.344689D+00
      4  -0.587447D+00  0.296752D+00 -0.722234D+01 -0.348963D+01  0.985131D+01
      5   0.308638D+01 -0.842363D+01  0.112501D+01  0.109871D+01  0.501054D+00
      6   0.969104D+00  0.142582D+02 -0.147528D+01  0.560008D+00 -0.200090D+00
                21            22            23            24            25 
      1   0.115572D+01 -0.104828D+02  0.348150D+01  0.484808D-01  0.371249D+01
      2  -0.776858D+00  0.514892D+01  0.104343D+00  0.208931D+00 -0.296627D+01
      3  -0.378860D+00  0.533388D+01 -0.358584D+01 -0.257411D+00 -0.746224D+00
      4   0.379596D+00  0.125233D+02 -0.165986D+02  0.797052D+00  0.644961D-01
      5   0.177821D+02  0.299601D-01  0.594602D+00 -0.147233D+01  0.195612D+02
      6   0.214070D+00  0.369819D+00 -0.264401D+00  0.439843D+01 -0.208635D+01
                26            27            28            29            30 
      1   0.721320D+00  0.106667D+02 -0.396951D+00  0.350099D+01  0.211385D+01
      2   0.133956D+00 -0.108624D+02  0.672535D+00 -0.850513D+01  0.219975D+01
      3  -0.855276D+00  0.195695D+00 -0.275584D+00  0.500414D+01 -0.431360D+01
      4   0.731696D+00 -0.189101D+01 -0.386243D+01 -0.444779D+01 -0.124101D+01
      5   0.519902D+00  0.314412D+01 -0.200585D+01 -0.346668D-01 -0.392001D+00
      6   0.347845D+01 -0.552416D+00  0.104463D+01 -0.161683D+01 -0.741405D+00
                31            32            33            34            35 
      1  -0.281661D+01 -0.158442D+01  0.124792D+01  0.889948D+00 -0.231471D+01
      2  -0.213470D+01 -0.248833D+01 -0.451250D+00  0.190623D+01 -0.405237D+01
      3   0.495131D+01  0.407276D+01 -0.796666D+00 -0.279618D+01  0.636709D+01
      4  -0.874992D+01 -0.109146D+02  0.420453D+00 -0.556280D+01 -0.472286D-01
      5  -0.835053D-01 -0.503090D+00 -0.285506D+01  0.155926D+01  0.123434D+01
      6   0.216948D+00 -0.623979D-01 -0.234300D+01  0.308408D+01 -0.112311D-01
                36            37            38            39            40 
      1   0.959596D+01  0.187834D+01 -0.465384D+01  0.339619D+01  0.328240D+01
      2   0.757819D+01 -0.154040D+01  0.715560D+01  0.149247D+01  0.422230D+00
      3  -0.171742D+02 -0.337942D+00 -0.250176D+01 -0.488866D+01 -0.370463D+01
      4   0.207357D+01  0.183978D+01 -0.397901D+01  0.801284D-01 -0.766071D+01
      5   0.269157D+01  0.786162D-01 -0.598838D+00  0.198675D+00  0.235767D+00
      6   0.800018D+01 -0.123021D+01 -0.982594D-01  0.191914D+01  0.171027D+01
                41            42            43            44            45 
      1  -0.751718D+00 -0.150737D+01  0.504455D+01  0.129772D+01  0.103494D+02
      2  -0.499876D+01 -0.146571D+01  0.919335D+00  0.146878D+01  0.822049D+01
      3   0.575048D+01  0.297309D+01 -0.596388D+01 -0.276649D+01 -0.185699D+02
      4   0.529774D+01  0.762231D+00  0.277836D+01 -0.913791D+00 -0.352439D+01
      5  -0.264747D+00  0.277462D+01  0.117663D+01 -0.193969D+01  0.273893D+01
      6  -0.599450D+00 -0.178434D+01 -0.321619D+01  0.185642D+01 -0.735509D+01
                46            47            48            49            50 
      1  -0.467656D+02  0.421178D+01 -0.238686D+01  0.163464D+02  0.144313D+02
      2   0.298903D+02  0.244835D+00  0.548964D+01 -0.114555D+02 -0.172944D+02
      3   0.168753D+02 -0.445661D+01 -0.310277D+01 -0.489092D+01  0.286305D+01
      4   0.576490D+01 -0.116465D+02  0.393097D-01  0.291245D+01  0.263150D+01
      5  -0.573370D+01  0.105733D+01 -0.122637D+02  0.228863D+01  0.143196D+01
      6  -0.517825D+00 -0.480409D+00  0.292109D+01  0.187657D+01  0.156878D+01
                51            52            53            54            55 
      1   0.771840D+00 -0.101097D+02  0.207621D+01 -0.821348D+01  0.980688D+02
      2  -0.360247D+00  0.756220D+01 -0.117788D+00 -0.280837D+01 -0.591586D+02
      3  -0.411593D+00  0.254749D+01 -0.195843D+01  0.110218D+02 -0.389103D+02
      4   0.175839D+01  0.741092D+00 -0.296338D+01  0.129757D+01 -0.257292D+01
      5   0.477336D+01  0.123920D+01  0.408254D+00 -0.676963D+01  0.813726D+01
      6  -0.879877D+01 -0.635318D+00  0.238142D+01 -0.501318D+00  0.347366D+00
                56            57            58            59            60 
      1  -0.926203D+01  0.569747D+01 -0.964675D+01  0.837350D+01 -0.503124D+00
      2   0.692794D+01 -0.567102D+01  0.740505D+01 -0.129884D+01  0.723334D+00
      3   0.233410D+01 -0.264450D-01  0.224170D+01 -0.707466D+01 -0.220210D+00
      4   0.238143D+02 -0.454119D+00  0.183566D+02 -0.651638D+01  0.222312D+01
      5  -0.128426D+01  0.231289D+02 -0.990130D+00  0.194709D+01 -0.396754D+01
      6   0.463160D+00 -0.341135D+00  0.931094D+00  0.211448D+00  0.560387D+01
                61            62            63            64            65 
      1   0.864929D+01 -0.153609D+01  0.159089D+02  0.142025D+02 -0.102677D+02
      2  -0.778372D+01  0.669917D+00 -0.148102D+02 -0.598241D+01  0.189390D+02
      3  -0.865570D+00  0.866175D+00 -0.109879D+01 -0.822010D+01 -0.867130D+01
      4  -0.114941D+01  0.417306D+01 -0.375732D+00  0.152478D+02  0.175072D+02
      5   0.258801D+02 -0.212293D+01  0.107386D+02  0.131020D+01  0.328016D-01
      6   0.253652D+01  0.397323D+01  0.101625D+01  0.123805D+01 -0.378909D+00
                66            67            68            69            70 
      1   0.516619D+00 -0.626569D+01  0.314503D+01 -0.274510D+01  0.250208D+01
      2  -0.189411D+01  0.118106D+02  0.386665D+01  0.635180D+00 -0.106271D+01
      3   0.137749D+01 -0.554494D+01 -0.701168D+01  0.210992D+01 -0.143937D+01
      4   0.130010D+01  0.164911D+02  0.180890D+02  0.879105D+00  0.458592D+01
      5   0.742559D+01  0.408602D-01  0.104337D+01  0.319503D+01  0.613973D+01
      6   0.376704D+01 -0.908084D+00  0.249597D+01  0.687428D+01  0.362371D+01
                71            72            73            74            75 
      1  -0.220111D+01 -0.327126D+01 -0.520700D+01 -0.319387D+01 -0.199552D+01
      2   0.538770D+01 -0.147933D+01  0.586367D+01  0.110782D+01 -0.749147D+00
      3  -0.318659D+01  0.475059D+01 -0.656675D+00  0.208605D+01  0.274466D+01
      4   0.378638D+01  0.458272D+01  0.306844D+01  0.191025D+01  0.166908D+01
      5   0.334083D+01  0.146347D+01 -0.150432D+01  0.571335D+00  0.424443D+01
      6   0.710608D+01  0.234966D+01  0.159064D+01 -0.643259D+00  0.520252D+00
                76            77            78            79            80 
      1  -0.219728D+01 -0.191029D+02  0.178392D+01 -0.101306D+01 -0.110982D+01
      2  -0.233163D+01  0.323042D+02  0.119488D+01  0.926386D+00 -0.730755D+00
      3   0.452891D+01 -0.132013D+02 -0.297879D+01  0.866731D-01  0.184058D+01
      4   0.149780D+02 -0.233548D+02 -0.926351D+00  0.132915D+01 -0.410432D+00
      5   0.144741D+00 -0.793768D+00 -0.468964D+01  0.388310D+01 -0.306580D+01
      6  -0.181181D+01  0.781092D+00  0.103673D+02 -0.151918D+01  0.830426D+01
                81            82            83            84            85 
      1  -0.579673D+01  0.100573D+02  0.403245D+01  0.347645D+00 -0.250517D+01
      2   0.151471D+01 -0.255687D+01 -0.176210D+01 -0.561520D+00  0.266921D+01
      3   0.428202D+01 -0.750043D+01 -0.227035D+01  0.213876D+00 -0.164040D+00
      4  -0.322766D+01  0.200698D+02  0.204723D+02 -0.783208D+00  0.867167D+01
      5  -0.309934D+00  0.149962D+00 -0.787245D+00  0.685306D+01 -0.122226D+01
      6   0.601093D+00  0.289246D+00 -0.280767D+00  0.377279D+00 -0.158166D+01
                86            87            88            89            90 
      1  -0.249490D+02  0.407842D+00  0.157260D+00 -0.669028D+00 -0.842071D+01
      2   0.379119D+02 -0.344035D+00 -0.112777D+01  0.297790D+00  0.512300D+01
      3  -0.129628D+02 -0.638067D-01  0.970510D+00  0.371239D+00  0.329771D+01
      4   0.190795D+02 -0.138049D+01 -0.216004D+00  0.283178D+00  0.657289D+01
      5  -0.189929D+01  0.172126D+01  0.394358D+01  0.684254D+01 -0.385113D+00
      6  -0.218666D+01  0.141976D+02 -0.186115D+00  0.128668D+02 -0.720396D+00
                91            92            93            94            95 
      1  -0.165144D+01 -0.133032D+00 -0.310376D+01 -0.201442D+00 -0.301551D+01
      2  -0.258148D+01  0.321907D+00 -0.992863D+00 -0.654819D-01  0.365150D+00
      3   0.423292D+01 -0.188875D+00  0.409663D+01  0.266924D+00  0.265036D+01
      4  -0.935807D+00  0.188374D+01 -0.127397D+01  0.260286D+01  0.107146D+01
      5   0.239911D+00 -0.599797D+00  0.466413D+01 -0.186371D+00 -0.618916D+00
      6  -0.171967D+01  0.772290D+00 -0.170424D+01  0.295412D+00 -0.200246D+01
                96            97            98            99           100 
      1   0.171894D+01 -0.353158D+01  0.319281D+01 -0.185570D+02 -0.215906D+01
      2  -0.133740D+01 -0.815311D+00 -0.108784D+01 -0.142252D+02 -0.248168D+01
      3  -0.381541D+00  0.434689D+01 -0.210497D+01  0.327823D+02  0.464074D+01
      4  -0.120840D+01 -0.102311D+01 -0.254367D+01 -0.119578D+00  0.132152D+01
      5   0.497295D+00  0.385729D+01  0.198937D+00 -0.566462D+01  0.379351D+00
      6   0.608797D+01 -0.975664D+00  0.532843D+01 -0.974572D+01  0.145828D+01
               101           102           103           104           105 
      1   0.564514D+00 -0.327327D+01  0.634340D+00 -0.278431D+01 -0.108878D+01
      2  -0.392213D+00 -0.103629D+01 -0.101706D+00 -0.168930D+00  0.186668D+01
      3  -0.172301D+00  0.430955D+01 -0.532634D+00  0.295324D+01 -0.777909D+00
      4   0.223517D+01  0.116879D+01  0.226265D+01 -0.251660D+00 -0.116404D+01
      5   0.296003D+00  0.508175D+01 -0.117940D+00 -0.518555D+00 -0.185813D+00
      6   0.630172D+00  0.146870D+01  0.653279D+00  0.126685D+01  0.593340D+01
               106           107           108           109           110 
      1  -0.511191D+01 -0.202587D+01 -0.201685D+02 -0.122344D+02  0.388229D+01
      2  -0.891264D+00  0.226059D+01 -0.147401D+02  0.617937D+01 -0.460876D+01
      3   0.600317D+01 -0.234721D+00  0.349086D+02  0.605503D+01  0.726472D+00
      4   0.139655D+01 -0.223844D+01  0.950295D+00 -0.166142D+02 -0.126090D+02
      5   0.397618D+01  0.586956D-01 -0.563329D+01 -0.492343D+00  0.440295D+00
      6   0.125681D+01  0.476231D+01  0.860814D+01 -0.487166D+00  0.341654D+00
               111           112           113           114           115 
      1  -0.448749D+00  0.165966D+01 -0.556389D+01  0.329920D+00  0.792267D-01
      2  -0.139643D-01 -0.152672D+01  0.754605D+01 -0.315490D+00 -0.188659D-01
      3   0.462713D+00 -0.132937D+00 -0.198216D+01 -0.144302D-01 -0.603608D-01
      4   0.411299D+00  0.320101D+00  0.139880D+01  0.100702D+00 -0.350885D+00
      5  -0.554270D+01  0.309650D-01 -0.268164D+00  0.527883D+00  0.320621D+00
      6  -0.146136D+01  0.267913D+00 -0.438647D+00  0.148693D+01 -0.765545D-01
               116           117           118           119           120 
      1   0.673820D+00 -0.222844D+01  0.906406D+01  0.702170D+01  0.340174D-01
      2  -0.642686D+00  0.697573D+00 -0.391285D+01 -0.327488D+01  0.834980D-01
      3  -0.311341D-01  0.153087D+01 -0.515121D+01 -0.374683D+01 -0.117515D+00
      4   0.152502D+00  0.461699D+00  0.781205D+01  0.556937D+01  0.381753D-02
      5   0.786971D+00  0.216730D+00 -0.178842D+00  0.556114D-01  0.235711D+01
      6   0.251643D+01 -0.511306D+00  0.227604D-01  0.258006D-01  0.134840D+01
               121           122           123           124           125 
      1   0.208532D+02  0.429733D+01  0.566758D+00 -0.759126D+00  0.978174D-01
      2  -0.122715D+02 -0.154705D+01 -0.545153D+00  0.344900D+00 -0.235508D+00
      3  -0.858171D+01 -0.275028D+01 -0.216047D-01  0.414226D+00  0.137690D+00
      4   0.662366D+01  0.215536D+02 -0.915733D-01  0.407748D-01 -0.162028D+00
      5   0.507121D+00 -0.240114D+00  0.465508D+01  0.426530D+01  0.252629D+01
      6   0.565393D-01  0.392248D+00 -0.192703D+00  0.606659D+00  0.154113D+01
               126           127           128           129           130 
      1   0.165302D+01 -0.420332D+01  0.894417D+01 -0.662427D+00  0.704792D+01
      2  -0.187703D+01  0.427908D+01 -0.120350D+02  0.231724D+00 -0.661127D+01
      3   0.224013D+00 -0.757564D-01  0.309084D+01  0.430703D+00 -0.436655D+00
      4   0.263004D+01 -0.423399D+01 -0.113024D+01 -0.160866D+00  0.363465D+01
      5   0.217800D+00 -0.151980D+00  0.107035D+00 -0.106375D+01  0.395962D-01
      6   0.661244D-01 -0.480030D+00  0.939993D+00 -0.151745D+01  0.120647D+00
               131           132           133           134           135 
      1  -0.201800D+02  0.659060D+00 -0.483419D+00  0.183602D+01 -0.324315D+01
      2   0.301578D+02 -0.936282D+00  0.545228D+00 -0.210645D+01  0.293736D+01
      3  -0.997777D+01  0.277222D+00 -0.618089D-01  0.270430D+00  0.305792D+00
      4   0.709728D+01 -0.339905D+00 -0.648658D+00 -0.618443D+00  0.773626D+00
      5  -0.664356D+00  0.186686D+01  0.949849D+00  0.865625D+00  0.323574D+00
      6  -0.175710D+01  0.459012D+01 -0.249066D+00  0.522786D+01 -0.675400D+00
               136           137           138           139           140 
      1   0.153868D+02  0.310620D+01  0.179901D+01 -0.336375D+01  0.457619D+01
      2  -0.644268D+01 -0.782506D+01 -0.463840D+00  0.519520D+00 -0.262586D+01
      3  -0.894408D+01  0.471886D+01 -0.133517D+01  0.284423D+01 -0.195032D+01
      4  -0.165821D+02  0.135520D+02 -0.175746D+01  0.445480D+01 -0.745765D+00
      5   0.173425D+01 -0.204160D+00  0.367065D+01 -0.635011D+00  0.692515D+00
      6  -0.160747D+01  0.137382D+00 -0.490592D+01  0.299587D+00 -0.371479D+00
               141           142           143           144 
      1  -0.140310D+00  0.177327D+01  0.158744D+01  0.571790D+00
      2   0.178508D+00 -0.121937D+01 -0.190275D+01 -0.139890D+01
      3  -0.381972D-01 -0.553907D+00  0.315318D+00  0.827110D+00
      4   0.560475D+00 -0.326054D+01  0.192469D+01 -0.331897D+01
      5  -0.154995D+01  0.409694D+01 -0.246422D+01  0.161418D+01
      6   0.156187D+00 -0.209188D+01  0.255558D+01 -0.190946D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Jul 28 19:58:36 2021, MaxMem=  5637144576 cpu:           19050.2 elap:            2408.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.04488 -19.01721 -19.01007 -19.00058 -18.99103
 Alpha  occ. eigenvalues --  -18.97047 -10.26770 -10.24008 -10.19804 -10.18492
 Alpha  occ. eigenvalues --   -1.28916  -1.25613  -1.21957  -1.19707  -1.18580
 Alpha  occ. eigenvalues --   -1.15579  -0.94446  -0.84973  -0.79453  -0.75797
 Alpha  occ. eigenvalues --   -0.74451  -0.71741  -0.68506  -0.65260  -0.63260
 Alpha  occ. eigenvalues --   -0.62542  -0.60208  -0.59097  -0.57259  -0.56088
 Alpha  occ. eigenvalues --   -0.54616  -0.53744  -0.49199  -0.48746  -0.46908
 Alpha  occ. eigenvalues --   -0.45493  -0.43945  -0.42576  -0.41929
 Alpha virt. eigenvalues --    0.02030   0.03501   0.04191   0.04411   0.04575
 Alpha virt. eigenvalues --    0.06365   0.06712   0.07380   0.08750   0.10180
 Alpha virt. eigenvalues --    0.10759   0.11365   0.11676   0.12247   0.13316
 Alpha virt. eigenvalues --    0.13848   0.14164   0.14856   0.15394   0.16156
 Alpha virt. eigenvalues --    0.16975   0.17239   0.18446   0.18707   0.19352
 Alpha virt. eigenvalues --    0.20639   0.21262   0.22289   0.23542   0.24931
 Alpha virt. eigenvalues --    0.25616   0.26257   0.26544   0.27048   0.27253
 Alpha virt. eigenvalues --    0.27821   0.28611   0.29236   0.29437   0.30093
 Alpha virt. eigenvalues --    0.30647   0.31114   0.31994   0.32566   0.32960
 Alpha virt. eigenvalues --    0.33222   0.34138   0.34562   0.35325   0.36141
 Alpha virt. eigenvalues --    0.37077   0.37977   0.38719   0.39074   0.39833
 Alpha virt. eigenvalues --    0.40608   0.41318   0.41849   0.43480   0.44164
 Alpha virt. eigenvalues --    0.45251   0.45682   0.46677   0.47547   0.48210
 Alpha virt. eigenvalues --    0.49660   0.50002   0.51968   0.52915   0.53865
 Alpha virt. eigenvalues --    0.54836   0.55677   0.56597   0.57547   0.59789
 Alpha virt. eigenvalues --    0.59979   0.61755   0.62433   0.63598   0.64642
 Alpha virt. eigenvalues --    0.65317   0.66331   0.66421   0.67979   0.68472
 Alpha virt. eigenvalues --    0.69877   0.71101   0.73203   0.73576   0.75086
 Alpha virt. eigenvalues --    0.76731   0.77387   0.78464   0.79016   0.79577
 Alpha virt. eigenvalues --    0.82011   0.84329   0.85330   0.87018   0.87304
 Alpha virt. eigenvalues --    0.88734   0.89287   0.90891   0.93301   0.93804
 Alpha virt. eigenvalues --    0.94401   0.95555   0.96778   0.97698   1.00306
 Alpha virt. eigenvalues --    1.01819   1.02276   1.04018   1.04839   1.05868
 Alpha virt. eigenvalues --    1.06979   1.09667   1.09998   1.11280   1.11951
 Alpha virt. eigenvalues --    1.12464   1.13932   1.15571   1.16255   1.18003
 Alpha virt. eigenvalues --    1.19902   1.20453   1.21607   1.24475   1.25255
 Alpha virt. eigenvalues --    1.26081   1.26884   1.28634   1.28840   1.33910
 Alpha virt. eigenvalues --    1.35324   1.36577   1.37847   1.38456   1.40606
 Alpha virt. eigenvalues --    1.42389   1.43012   1.44153   1.48224   1.49510
 Alpha virt. eigenvalues --    1.51843   1.52540   1.53079   1.55500   1.57455
 Alpha virt. eigenvalues --    1.58942   1.60574   1.61560   1.63770   1.66298
 Alpha virt. eigenvalues --    1.67660   1.69214   1.70042   1.72461   1.75730
 Alpha virt. eigenvalues --    1.77621   1.81254   1.82154   1.83758   1.84966
 Alpha virt. eigenvalues --    1.86407   1.88640   1.89739   1.91403   1.93153
 Alpha virt. eigenvalues --    1.95643   1.96075   1.99133   2.01703   2.02973
 Alpha virt. eigenvalues --    2.05055   2.08671   2.09199   2.11076   2.13955
 Alpha virt. eigenvalues --    2.16195   2.17011   2.18968   2.21918   2.23862
 Alpha virt. eigenvalues --    2.26711   2.29755   2.31378   2.36184   2.38298
 Alpha virt. eigenvalues --    2.40349   2.40931   2.45182   2.47460   2.50573
 Alpha virt. eigenvalues --    2.52754   2.56927   2.60787   2.61529   2.62735
 Alpha virt. eigenvalues --    2.65366   2.69446   2.74496   2.79280   2.84390
 Alpha virt. eigenvalues --    2.91462   2.94738   3.01357   3.05374   3.08085
 Alpha virt. eigenvalues --    3.13380   3.20109   3.22989   3.33675   3.37822
 Alpha virt. eigenvalues --    3.40474   3.41438   3.43405   3.44112   3.46458
 Alpha virt. eigenvalues --    3.46907   3.48170   3.50289   3.51461   3.51918
 Alpha virt. eigenvalues --    3.52471   3.53598   3.53935   3.55095   3.58640
 Alpha virt. eigenvalues --    3.59100   3.61818   3.66025   3.67740   3.71349
 Alpha virt. eigenvalues --    3.74556   3.76741   3.82308   3.86373   3.89090
 Alpha virt. eigenvalues --    3.90750   4.04131   4.12937   4.14546   4.18376
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.233287   0.284594  -0.127760  -0.497916  -0.299215   0.004831
     2  O    0.284594   8.308342  -0.148417   0.011922   0.030904  -0.014977
     3  O   -0.127760  -0.148417   8.283448   0.089426   0.023211  -0.004897
     4  C   -0.497916   0.011922   0.089426   6.050908   0.134183  -0.321610
     5  C   -0.299215   0.030904   0.023211   0.134183   6.050811  -0.527771
     6  C    0.004831  -0.014977  -0.004897  -0.321610  -0.527771   6.298352
     7  O   -0.009612  -0.000823   0.000477   0.042429  -0.004451   0.281179
     8  O    0.009663  -0.007291  -0.048586  -0.156175   0.161533   0.003046
     9  O    0.007445  -0.002422  -0.001550   0.058603  -0.055614   0.054730
    10  O   -0.024069  -0.032390  -0.002147   0.036623   0.130544  -0.144376
    11  H   -0.146346  -0.001477   0.032725  -0.037808   0.028798  -0.036323
    12  H   -0.021215   0.011944   0.004661  -0.017182  -0.004185  -0.109276
    13  H   -0.061375   0.056803   0.005354   0.013718  -0.046639  -0.099566
    14  H   -0.033527   0.019099   0.285886  -0.071593  -0.011967   0.000306
    15  H   -0.007731   0.001790   0.002013   0.031809  -0.078864  -0.003510
    16  H   -0.000873   0.000555   0.000241   0.027294  -0.064016  -0.089771
               7          8          9         10         11         12
     1  C   -0.009612   0.009663   0.007445  -0.024069  -0.146346  -0.021215
     2  O   -0.000823  -0.007291  -0.002422  -0.032390  -0.001477   0.011944
     3  O    0.000477  -0.048586  -0.001550  -0.002147   0.032725   0.004661
     4  C    0.042429  -0.156175   0.058603   0.036623  -0.037808  -0.017182
     5  C   -0.004451   0.161533  -0.055614   0.130544   0.028798  -0.004185
     6  C    0.281179   0.003046   0.054730  -0.144376  -0.036323  -0.109276
     7  O    8.240069  -0.001692  -0.046735  -0.107698   0.004245   0.014948
     8  O   -0.001692   8.293131  -0.034794  -0.001112  -0.064503  -0.008493
     9  O   -0.046735  -0.034794   8.407785  -0.019327  -0.037521  -0.143665
    10  O   -0.107698  -0.001112  -0.019327   8.342163  -0.003074  -0.014219
    11  H    0.004245  -0.064503  -0.037521  -0.003074   1.399425   0.107209
    12  H    0.014948  -0.008493  -0.143665  -0.014219   0.107209   1.388104
    13  H    0.017500   0.003780   0.002719   0.229348   0.005995   0.011596
    14  H    0.000032   0.040426  -0.000550  -0.000357  -0.000258   0.000187
    15  H    0.000420   0.321489   0.019181   0.001068  -0.031931   0.003171
    16  H    0.042527   0.001382   0.293560   0.004396   0.012914   0.021946
              13         14         15         16
     1  C   -0.061375  -0.033527  -0.007731  -0.000873
     2  O    0.056803   0.019099   0.001790   0.000555
     3  O    0.005354   0.285886   0.002013   0.000241
     4  C    0.013718  -0.071593   0.031809   0.027294
     5  C   -0.046639  -0.011967  -0.078864  -0.064016
     6  C   -0.099566   0.000306  -0.003510  -0.089771
     7  O    0.017500   0.000032   0.000420   0.042527
     8  O    0.003780   0.040426   0.321489   0.001382
     9  O    0.002719  -0.000550   0.019181   0.293560
    10  O    0.229348  -0.000357   0.001068   0.004396
    11  H    0.005995  -0.000258  -0.031931   0.012914
    12  H    0.011596   0.000187   0.003171   0.021946
    13  H    0.641159  -0.000712  -0.000360  -0.001426
    14  H   -0.000712   0.573850   0.000356  -0.000084
    15  H   -0.000360   0.000356   0.582777   0.002464
    16  H   -0.001426  -0.000084   0.002464   0.591638
 Mulliken charges:
               1
     1  C    0.689820
     2  O   -0.518155
     3  O   -0.394086
     4  C    0.605370
     5  C    0.532738
     6  C    0.709634
     7  O   -0.472815
     8  O   -0.511803
     9  O   -0.501844
    10  O   -0.395374
    11  H   -0.232070
    12  H   -0.245529
    13  H    0.222104
    14  H    0.198905
    15  H    0.155854
    16  H    0.157251
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.689820
     2  O   -0.518155
     3  O   -0.195181
     4  C    0.373299
     5  C    0.287209
     6  C    0.709634
     7  O   -0.472815
     8  O   -0.355949
     9  O   -0.344593
    10  O   -0.173270
 Electronic spatial extent (au):  <R**2>=           1455.5093
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.6037    Y=              2.9828    Z=             -0.2288  Tot=              3.9659
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -67.8379   YY=            -61.7419   ZZ=            -55.0691
   XY=              1.6417   XZ=             -2.1473   YZ=             -1.1832
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.2883   YY=             -0.1922   ZZ=              6.4805
   XY=              1.6417   XZ=             -2.1473   YZ=             -1.1832
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             31.7570  YYY=             17.1020  ZZZ=             -0.2067  XYY=              2.0277
  XXY=             23.4524  XXZ=              1.4879  XZZ=              0.6251  YZZ=             -0.1428
  YYZ=             -2.3012  XYZ=              1.5634
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1164.7323 YYYY=           -553.8002 ZZZZ=            -73.5425 XXXY=              7.0729
 XXXZ=             -8.8092 YYYX=             10.8972 YYYZ=             -6.0421 ZZZX=             -1.0352
 ZZZY=             -0.5964 XXYY=           -286.4210 XXZZ=           -193.3061 YYZZ=           -110.2237
 XXYZ=             -2.9012 YYXZ=              2.1419 ZZXY=             -0.4599
 N-N= 5.800099000626D+02 E-N=-2.584928575347D+03  KE= 6.028910117917D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Jul 28 19:58:38 2021, MaxMem=  5637144576 cpu:               8.6 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.01689278D+00 1.18412649D+00-9.38804386D-02
 Polarizability= 8.17975500D+01 4.85168438D-01 7.24905273D+01
                 2.31743696D+00-9.28608424D-01 4.74490445D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.2381   -1.2382        0.2504    0.2503
 2      1.2381    1.2382        0.4791    0.4790       -4.6221   -4.6212
 3     -0.2504   -0.2503       17.3779   17.3773       -0.4790   -0.4790
 4     -0.4791   -0.4790       -0.0000    0.0000       -0.2503   -0.2503
 5    -12.7558  -12.7561        0.2503    0.2503       -1.2382   -1.2382
 6      0.4790    0.4790        1.2382    1.2382       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.7146    3.7146        0.7510    0.7510
 2     -1.4371   -1.4371        0.0000    0.0000        0.7510    0.7510
 3     -1.4371   -1.4371        3.7146    3.7146        0.0000    0.0000
 4      3.7146    3.7146        1.4371    1.4371      -13.8636  -13.8636
 5     -0.7510   -0.7510       52.1318   52.1318       -1.4371   -1.4371
 6    -38.2682  -38.2682        0.7510    0.7510       -3.7146   -3.7146
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0070    0.0000        4.9390    4.9528       -1.0293   -1.0014
 2     -4.9305   -4.9528       -1.9097   -1.9161       18.5134   18.4848
 3      1.0027    1.0014      -69.5063  -69.5091        1.9139    1.9161
 4      1.9193    1.9161       -0.0134    0.0000        1.0106    1.0014
 5     51.0296   51.0242       -1.0085   -1.0014        4.9527    4.9528
 6     -1.9103   -1.9161       -4.9692   -4.9528       -0.0092    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0170    0.0000      -18.6311  -18.6456        3.8878    3.9125
 2     18.6256   18.6456       -4.6062   -4.6040        6.1627    6.1851
 3     -3.9427   -3.9125       -4.9481   -4.9714        4.5333    4.6040
 4      4.6017    4.6040       -0.0082    0.0000       -3.9064   -3.9125
 5     -1.1899   -1.2138        3.9117    3.9125      -18.6258  -18.6456
 6     -4.6051   -4.6040       18.6314   18.6456        0.0148    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -2.2477   -2.2369       -1.2596   -1.2597       -9.3338   -9.3518
 2      0.1863    0.1920      -23.2584  -23.2719       -9.3496   -9.3518
 3      0.1804    0.1920       -1.2645   -1.2597      -14.2993  -14.3040
 4     22.0072   22.0122       -2.4305   -2.4289        0.3227    0.3349
 5     -4.9706   -4.9522       -3.9465   -3.9172        2.3416    2.4289
 6      3.6626    3.5823        4.9698    4.9522      -21.9988  -22.0122
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.7795   -6.4224   -4.2787    0.0006    0.0006    0.0011
 Low frequencies ---   52.7945   70.0663   99.8989
 Diagonal vibrational polarizability:
       47.2791011      32.1767939      43.1856938
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     52.7868                70.0659                99.8988
 Red. masses --      8.9078                 9.1139                11.6971
 Frc consts  --      0.0146                 0.0264                 0.0688
 IR Inten    --      0.4862                 2.4131                 1.9607
 RamAct Fr= 1--      0.4371                 0.0627                 0.8073
  Dep-P Fr= 1--      0.7491                 0.3243                 0.7475
  Dep-U Fr= 1--      0.8566                 0.4897                 0.8555
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0000
 Beta2  Fr= 1--      0.0624                 0.0051                 0.1151
 AlphaG Fr= 1--     -0.0001                -0.0010                 0.0016
 Gamma2 Fr= 1--     -0.1011                 0.0075                 0.1305
 Delta2 Fr= 1--      0.0480                 0.0286                -0.0176
 Raman1 Fr= 1--       1.748                  0.251                  3.229
 ROA1   Fr= 1--      -8.168                  1.639                 11.968
 CID1   Fr= 1--      -4.672                  6.538                  3.706
 Raman2 Fr= 1--       0.749                  0.061                  1.381
 ROA2   Fr= 1--      -2.810                 -0.048                  3.274
 CID2   Fr= 1--      -3.753                 -0.786                  2.370
 Raman3 Fr= 1--       1.498                  0.123                  2.763
 ROA3   Fr= 1--      -8.168                  1.639                 11.968
 CID3   Fr= 1--      -5.454                 13.351                  4.332
 RC180  Fr= 1--       0.713                 -0.021                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.01   0.01  -0.07    -0.03   0.00  -0.11
     2   8     0.02  -0.04  -0.30    -0.02   0.00  -0.22    -0.02  -0.02  -0.41
     3   8    -0.05   0.03   0.45     0.03  -0.06  -0.12    -0.06   0.01   0.22
     4   6     0.02  -0.02  -0.09     0.06   0.08   0.11    -0.02   0.02  -0.05
     5   6     0.03   0.01  -0.07    -0.05   0.07  -0.11     0.03   0.00   0.05
     6   6    -0.01   0.00   0.06    -0.02  -0.01   0.05     0.05  -0.00   0.03
     7   8    -0.07  -0.00   0.37    -0.05  -0.08   0.10     0.14  -0.00  -0.38
     8   8     0.01   0.01  -0.16     0.06  -0.02   0.44    -0.01   0.02  -0.10
     9   8     0.03  -0.00  -0.14    -0.05   0.00  -0.42    -0.01   0.01   0.19
    10   8     0.03   0.01  -0.15     0.01  -0.00   0.22    -0.04  -0.02   0.51
    11   1     0.02  -0.09  -0.09     0.20   0.31   0.09    -0.10   0.02  -0.04
    12   1     0.06   0.08  -0.07    -0.18   0.27  -0.08     0.10  -0.06   0.04
    13   1     0.04   0.00  -0.32     0.02   0.03   0.06    -0.04  -0.05   0.30
    14   1    -0.08   0.03   0.54     0.06  -0.06   0.03    -0.08   0.01   0.34
    15   1    -0.02  -0.00  -0.11     0.22   0.07   0.23    -0.06   0.00   0.03
    16   1    -0.03   0.02   0.12    -0.08  -0.03  -0.26     0.08  -0.04  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    247.2102               249.5725               328.4968
 Red. masses --      8.0659                 6.4189                 5.5313
 Frc consts  --      0.2904                 0.2356                 0.3517
 IR Inten    --     30.6089                10.9704                17.5436
 RamAct Fr= 1--      0.0296                 1.0657                 0.2340
  Dep-P Fr= 1--      0.5717                 0.7309                 0.5988
  Dep-U Fr= 1--      0.7275                 0.8445                 0.7490
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0007
 Beta2  Fr= 1--      0.0036                 0.1500                 0.0292
 AlphaG Fr= 1--     -0.0009                 0.0022                -0.0023
 Gamma2 Fr= 1--      0.0144                -0.2272                -0.0226
 Delta2 Fr= 1--      0.0269                -0.1175                 0.0275
 Raman1 Fr= 1--       0.118                  4.263                  0.936
 ROA1   Fr= 1--       2.248                -25.570                 -1.289
 CID1   Fr= 1--      19.000                 -5.999                 -1.378
 Raman2 Fr= 1--       0.043                  1.800                  0.351
 ROA2   Fr= 1--       0.131                 -4.512                 -0.762
 CID2   Fr= 1--       3.047                 -2.507                 -2.173
 Raman3 Fr= 1--       0.086                  3.600                  0.701
 ROA3   Fr= 1--       2.248                -25.570                 -1.289
 CID3   Fr= 1--      26.118                 -7.103                 -1.839
 RC180  Fr= 1--       0.455                  0.689                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.00   0.01     0.00  -0.13   0.06     0.05   0.04   0.10
     2   8    -0.26   0.03   0.02     0.22  -0.21  -0.09    -0.04   0.06  -0.11
     3   8    -0.14  -0.22   0.01    -0.04   0.09  -0.06     0.12  -0.10  -0.04
     4   6    -0.04   0.13   0.03    -0.14  -0.16   0.19     0.04   0.02   0.26
     5   6    -0.02   0.17   0.07    -0.13   0.11   0.19     0.01  -0.01   0.24
     6   6     0.16  -0.03   0.03    -0.01   0.11   0.08     0.02  -0.04   0.10
     7   8     0.12  -0.18  -0.01    -0.02  -0.00  -0.07     0.09   0.11  -0.04
     8   8     0.18   0.04  -0.07    -0.09  -0.13  -0.04    -0.02   0.17  -0.12
     9   8    -0.20   0.07   0.03    -0.01   0.12  -0.07    -0.07  -0.14  -0.13
    10   8     0.33   0.04  -0.08     0.18   0.16  -0.05    -0.15  -0.08  -0.09
    11   1    -0.10   0.13   0.04    -0.23  -0.29   0.19    -0.12  -0.19   0.27
    12   1    -0.00   0.24   0.07    -0.23   0.27   0.20    -0.15   0.19   0.27
    13   1     0.37   0.13  -0.08     0.18   0.17  -0.01    -0.16  -0.14  -0.04
    14   1     0.05  -0.24  -0.02    -0.23   0.11  -0.01     0.24  -0.12  -0.03
    15   1     0.33   0.15  -0.13    -0.05  -0.12  -0.20    -0.08   0.09  -0.38
    16   1    -0.15  -0.12  -0.03     0.02   0.15  -0.21    -0.04  -0.31  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    347.2066               367.6159               393.3612
 Red. masses --      6.0937                 4.2151                 5.0978
 Frc consts  --      0.4328                 0.3356                 0.4647
 IR Inten    --      7.8430                 6.3529                24.0388
 RamAct Fr= 1--      3.1776                 1.6622                 0.9030
  Dep-P Fr= 1--      0.1386                 0.4670                 0.3947
  Dep-U Fr= 1--      0.2434                 0.6366                 0.5660
 Alpha2 Fr= 1--      0.0506                 0.0095                 0.0068
 Beta2  Fr= 1--      0.1289                 0.1764                 0.0852
 AlphaG Fr= 1--      0.0255                -0.0107                -0.0134
 Gamma2 Fr= 1--      0.0827                 0.1299                 0.2738
 Delta2 Fr= 1--      0.0645                 0.0910                 0.0575
 Raman1 Fr= 1--      12.710                  6.649                  3.612
 ROA1   Fr= 1--      10.007                 15.381                 28.126
 CID1   Fr= 1--       0.787                  2.313                  7.787
 Raman2 Fr= 1--       1.547                  2.116                  1.022
 ROA2   Fr= 1--       1.470                  2.389                  6.112
 CID2   Fr= 1--       0.950                  1.129                  5.979
 Raman3 Fr= 1--       3.094                  4.233                  2.044
 ROA3   Fr= 1--      10.007                 15.381                 28.126
 CID3   Fr= 1--       3.235                  3.634                 13.757
 RC180  Fr= 1--      -0.513                  0.273                  0.132
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.00   0.02    -0.08   0.01  -0.04    -0.04   0.07   0.05
     2   8     0.15  -0.00  -0.02     0.00  -0.02   0.02    -0.09   0.08  -0.04
     3   8     0.17  -0.03   0.03    -0.16   0.24  -0.00    -0.04   0.07  -0.02
     4   6     0.07   0.03   0.01    -0.04  -0.01  -0.01    -0.01   0.02   0.14
     5   6    -0.11   0.07  -0.04     0.05   0.00   0.06    -0.04  -0.03   0.09
     6   6    -0.16   0.03  -0.05     0.06  -0.03   0.05    -0.10  -0.08  -0.03
     7   8    -0.21  -0.09  -0.02     0.12   0.10  -0.00    -0.14  -0.23  -0.04
     8   8     0.27  -0.05  -0.06     0.20  -0.14   0.03     0.11   0.02  -0.05
     9   8    -0.27   0.04   0.13    -0.05  -0.08  -0.05     0.31   0.12  -0.02
    10   8    -0.10   0.04   0.02    -0.09  -0.08  -0.04    -0.03  -0.09  -0.01
    11   1     0.12   0.02   0.00    -0.11   0.11   0.02    -0.09  -0.04   0.15
    12   1    -0.12  -0.01  -0.04     0.07   0.07   0.06    -0.20  -0.06   0.12
    13   1    -0.11   0.06   0.03    -0.11  -0.17   0.01    -0.02  -0.02  -0.03
    14   1     0.20  -0.04  -0.00    -0.40   0.27  -0.04    -0.07   0.08  -0.04
    15   1     0.57   0.13  -0.40     0.55   0.07  -0.34     0.29   0.10  -0.43
    16   1    -0.21  -0.09  -0.03    -0.06  -0.21   0.05     0.22   0.50   0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    447.1017               500.8361               517.3522
 Red. masses --      1.2702                 6.0153                 1.4087
 Frc consts  --      0.1496                 0.8890                 0.2221
 IR Inten    --    158.8246                13.2636                51.6253
 RamAct Fr= 1--      0.9136                 4.7849                 0.7791
  Dep-P Fr= 1--      0.7400                 0.5488                 0.3357
  Dep-U Fr= 1--      0.8506                 0.7087                 0.5027
 Alpha2 Fr= 1--      0.0002                 0.0184                 0.0072
 Beta2  Fr= 1--      0.1295                 0.5652                 0.0653
 AlphaG Fr= 1--      0.0007                 0.0269                 0.0298
 Gamma2 Fr= 1--      0.0161                -0.2969                 0.4400
 Delta2 Fr= 1--      0.3515                -0.5239                 0.1169
 Raman1 Fr= 1--       3.654                 19.140                  3.116
 ROA1   Fr= 1--      12.793                -45.266                 45.984
 CID1   Fr= 1--       3.501                 -2.365                 14.756
 Raman2 Fr= 1--       1.554                  6.782                  0.783
 ROA2   Fr= 1--      -2.426                 -2.933                  9.625
 CID2   Fr= 1--      -1.561                 -0.433                 12.290
 Raman3 Fr= 1--       3.109                 13.564                  1.566
 ROA3   Fr= 1--      12.793                -45.266                 45.984
 CID3   Fr= 1--       4.115                 -3.337                 29.356
 RC180  Fr= 1--       0.701                  0.417                  0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01     0.07   0.14  -0.11    -0.01   0.00   0.03
     2   8     0.01   0.00   0.00    -0.14   0.23  -0.00    -0.00  -0.01  -0.01
     3   8    -0.01   0.02  -0.02     0.10   0.02   0.05    -0.01   0.00  -0.01
     4   6    -0.00   0.01   0.03    -0.04  -0.10  -0.06    -0.00  -0.00   0.04
     5   6    -0.01   0.01   0.03    -0.01  -0.13   0.13    -0.01  -0.04  -0.01
     6   6    -0.01  -0.01   0.00    -0.11   0.06   0.12    -0.00   0.02  -0.07
     7   8    -0.01  -0.01  -0.01    -0.10   0.03  -0.06    -0.02   0.03  -0.02
     8   8     0.09  -0.01  -0.07     0.01  -0.22   0.01     0.02   0.01  -0.02
     9   8    -0.01   0.01  -0.03     0.04  -0.21  -0.03    -0.00  -0.08  -0.04
    10   8    -0.02  -0.02  -0.00     0.13   0.18  -0.01     0.05   0.06   0.04
    11   1    -0.05  -0.01   0.04    -0.23  -0.03  -0.02     0.00  -0.03   0.04
    12   1    -0.07   0.03   0.04     0.08  -0.04   0.11    -0.06  -0.15   0.01
    13   1    -0.02  -0.02  -0.01     0.17   0.38   0.02     0.06   0.09  -0.01
    14   1    -0.03   0.03   0.10     0.16   0.02  -0.00    -0.01   0.00   0.00
    15   1    -0.20  -0.10   0.95     0.10  -0.14   0.10     0.03   0.02  -0.01
    16   1    -0.01   0.02  -0.01     0.15  -0.27  -0.47    -0.24   0.03   0.93
                     13                     14                     15
                      A                      A                      A
 Frequencies --    559.5717               595.9212               661.8145
 Red. masses --      2.9476                 7.0575                 3.6673
 Frc consts  --      0.5438                 1.4767                 0.9464
 IR Inten    --     24.9640                 3.6175                32.4642
 RamAct Fr= 1--      0.9501                 1.1983                 0.7095
  Dep-P Fr= 1--      0.0963                 0.2471                 0.6808
  Dep-U Fr= 1--      0.1757                 0.3963                 0.8101
 Alpha2 Fr= 1--      0.0168                 0.0143                 0.0009
 Beta2  Fr= 1--      0.0278                 0.0791                 0.0958
 AlphaG Fr= 1--     -0.0306                -0.0100                 0.0008
 Gamma2 Fr= 1--     -0.1151                 0.1295                -0.5433
 Delta2 Fr= 1--      0.1161                 0.2829                -0.4278
 Raman1 Fr= 1--       3.800                  4.793                  2.838
 ROA1   Fr= 1--      -7.335                 21.487                -65.846
 CID1   Fr= 1--      -1.930                  4.483                -23.201
 Raman2 Fr= 1--       0.334                  0.950                  1.150
 ROA2   Fr= 1--      -3.692                  0.845                 -9.617
 CID2   Fr= 1--     -11.060                  0.890                 -8.366
 Raman3 Fr= 1--       0.668                  1.900                  2.299
 ROA3   Fr= 1--      -7.335                 21.487                -65.846
 CID3   Fr= 1--     -10.987                 11.311                -28.640
 RC180  Fr= 1--      -0.649                 -0.207                  0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.15    -0.06  -0.11  -0.21    -0.05   0.08  -0.12
     2   8     0.07   0.04   0.05     0.13  -0.18   0.09     0.15   0.03   0.04
     3   8     0.06  -0.07   0.07    -0.15  -0.03   0.05    -0.04  -0.10   0.06
     4   6    -0.09   0.03  -0.11     0.06   0.15  -0.08    -0.15   0.09   0.05
     5   6    -0.01   0.08   0.11     0.11  -0.05   0.13    -0.15  -0.08   0.01
     6   6     0.00  -0.02   0.14    -0.13   0.05   0.14    -0.01  -0.07  -0.16
     7   8     0.05  -0.05  -0.07    -0.14  -0.08  -0.08     0.01   0.16   0.07
     8   8    -0.05  -0.07   0.03     0.08   0.29   0.04     0.04  -0.00  -0.02
     9   8    -0.00   0.10  -0.06     0.09  -0.20  -0.03     0.04  -0.01  -0.01
    10   8    -0.06  -0.07  -0.05    -0.01   0.13  -0.04     0.08  -0.09   0.06
    11   1    -0.27   0.18  -0.07    -0.11   0.46  -0.01    -0.37   0.23   0.10
    12   1     0.14   0.25   0.08     0.26   0.02   0.11    -0.42  -0.23   0.06
    13   1    -0.09  -0.12   0.07    -0.02   0.13   0.15     0.12   0.02  -0.08
    14   1     0.20  -0.10  -0.06    -0.12  -0.04  -0.19     0.25  -0.15  -0.30
    15   1     0.04  -0.00   0.07    -0.03   0.21   0.00     0.15   0.09   0.01
    16   1    -0.19   0.20   0.70     0.14  -0.23  -0.20     0.10   0.12  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    718.3197               755.9042               760.8162
 Red. masses --      1.1295                 5.8363                 7.7754
 Frc consts  --      0.3434                 1.9648                 2.6517
 IR Inten    --     62.2162                 3.6560                11.2721
 RamAct Fr= 1--      0.4826                 0.3828                 6.5349
  Dep-P Fr= 1--      0.6881                 0.0559                 0.0709
  Dep-U Fr= 1--      0.8152                 0.1059                 0.1324
 Alpha2 Fr= 1--      0.0005                 0.0075                 0.1228
 Beta2  Fr= 1--      0.0656                 0.0068                 0.1442
 AlphaG Fr= 1--      0.0123                -0.0154                -0.0050
 Gamma2 Fr= 1--     -0.0011                 0.1172                 0.3160
 Delta2 Fr= 1--      0.1091                 0.0440                -0.0667
 Raman1 Fr= 1--       1.930                  1.531                 26.140
 ROA1   Fr= 1--       3.387                 12.663                 28.202
 CID1   Fr= 1--       1.755                  8.271                  1.079
 Raman2 Fr= 1--       0.787                  0.081                  1.730
 ROA2   Fr= 1--      -0.899                  2.462                  8.117
 CID2   Fr= 1--      -1.143                 30.366                  4.691
 Raman3 Fr= 1--       1.574                  0.162                  3.461
 ROA3   Fr= 1--       3.387                 12.663                 28.202
 CID3   Fr= 1--       2.152                 78.108                  8.149
 RC180  Fr= 1--       0.630                 -0.788                 -0.735
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.02    -0.10   0.11   0.29    -0.19   0.23   0.23
     2   8     0.02   0.00   0.03     0.11   0.02  -0.08     0.26   0.11  -0.06
     3   8     0.00  -0.03  -0.06    -0.09  -0.06  -0.05    -0.15  -0.15  -0.06
     4   6    -0.02   0.02  -0.02     0.01   0.02  -0.11    -0.11   0.07  -0.03
     5   6    -0.01  -0.01   0.00    -0.03  -0.04  -0.12     0.13   0.04  -0.01
     6   6    -0.02  -0.01   0.01    -0.20  -0.13   0.31     0.16   0.17  -0.08
     7   8    -0.00   0.02  -0.00    -0.05   0.16  -0.10     0.04  -0.21   0.04
     8   8     0.00   0.01  -0.01     0.04   0.00   0.02    -0.04  -0.13  -0.01
     9   8     0.01  -0.01  -0.00     0.02   0.01   0.02     0.05  -0.12   0.01
    10   8     0.02  -0.01   0.00     0.13  -0.12  -0.05    -0.19   0.17  -0.01
    11   1    -0.02   0.04  -0.01     0.40  -0.15  -0.19    -0.05  -0.11  -0.05
    12   1    -0.01  -0.01   0.00     0.36   0.12  -0.19     0.19  -0.07  -0.01
    13   1     0.02   0.01  -0.02     0.19   0.16   0.03    -0.26  -0.20   0.05
    14   1    -0.11   0.01   0.98     0.17  -0.10  -0.24     0.39  -0.22   0.11
    15   1     0.07   0.05  -0.09     0.08   0.04   0.05     0.16   0.02   0.05
    16   1     0.01   0.02  -0.02    -0.02   0.12   0.12     0.10  -0.21  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    893.6971               908.5299               928.3448
 Red. masses --      1.2828                 3.2748                 3.6757
 Frc consts  --      0.6037                 1.5926                 1.8664
 IR Inten    --     80.1307                16.8164                 6.4515
 RamAct Fr= 1--      0.8011                 0.5205                 3.0509
  Dep-P Fr= 1--      0.3907                 0.1177                 0.0477
  Dep-U Fr= 1--      0.5619                 0.2106                 0.0910
 Alpha2 Fr= 1--      0.0061                 0.0087                 0.0606
 Beta2  Fr= 1--      0.0750                 0.0183                 0.0463
 AlphaG Fr= 1--     -0.0238                -0.0050                 0.0540
 Gamma2 Fr= 1--      0.4512                 0.3340                -0.0643
 Delta2 Fr= 1--      0.2270                 0.2037                -0.0069
 Raman1 Fr= 1--       3.205                  2.082                 12.203
 ROA1   Fr= 1--      50.576                 38.584                 -6.395
 CID1   Fr= 1--      15.783                 18.531                 -0.524
 Raman2 Fr= 1--       0.900                  0.219                  0.555
 ROA2   Fr= 1--       9.013                  6.387                 -1.489
 CID2   Fr= 1--      10.011                 29.126                 -2.680
 Raman3 Fr= 1--       1.801                  0.439                  1.111
 ROA3   Fr= 1--      50.576                 38.584                 -6.395
 CID3   Fr= 1--      28.090                 87.974                 -5.757
 RC180  Fr= 1--       0.124                 -0.579                 -0.818
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.03   0.07  -0.15    -0.00   0.04  -0.16
     2   8    -0.01  -0.00  -0.02     0.06   0.09   0.01     0.05   0.07   0.04
     3   8     0.02   0.00   0.01    -0.15  -0.03   0.01    -0.10  -0.02   0.01
     4   6    -0.03   0.00   0.01     0.19  -0.10   0.11     0.11  -0.12   0.13
     5   6    -0.07  -0.05  -0.06     0.15   0.06   0.05    -0.15  -0.13  -0.15
     6   6     0.03   0.01   0.04    -0.05  -0.04  -0.10     0.04   0.04   0.20
     7   8     0.04  -0.01   0.01    -0.08   0.04   0.01     0.10  -0.05  -0.03
     8   8     0.02   0.02  -0.01    -0.02  -0.04  -0.00     0.05   0.03  -0.01
     9   8     0.01  -0.01   0.01    -0.05   0.06  -0.00    -0.02   0.02   0.02
    10   8    -0.00   0.03  -0.05     0.04  -0.07  -0.01    -0.06   0.08  -0.01
    11   1    -0.00   0.02   0.01     0.20  -0.25   0.09     0.27  -0.15   0.10
    12   1    -0.12  -0.09  -0.05     0.11   0.18   0.06    -0.30  -0.19  -0.12
    13   1    -0.09  -0.03   0.96     0.02   0.06   0.62    -0.04  -0.06  -0.60
    14   1    -0.01   0.01   0.02     0.09  -0.06   0.09     0.08  -0.05   0.04
    15   1     0.04   0.04   0.02    -0.31  -0.27  -0.13    -0.21  -0.17  -0.11
    16   1    -0.01   0.12  -0.01    -0.03  -0.21   0.09    -0.07   0.26   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1062.5189              1093.0372              1093.4830
 Red. masses --      6.6168                 6.8472                 4.6663
 Frc consts  --      4.4012                 4.8198                 3.2874
 IR Inten    --     30.5415                64.8208               107.4381
 RamAct Fr= 1--      2.3432                 1.7824                 2.8081
  Dep-P Fr= 1--      0.2322                 0.6583                 0.6896
  Dep-U Fr= 1--      0.3769                 0.7939                 0.8163
 Alpha2 Fr= 1--      0.0292                 0.0029                 0.0030
 Beta2  Fr= 1--      0.1472                 0.2359                 0.3820
 AlphaG Fr= 1--     -0.0344                -0.0034                -0.0221
 Gamma2 Fr= 1--     -0.1804                -0.0039                 0.1237
 Delta2 Fr= 1--     -0.0712                -0.4287                 0.8075
 Raman1 Fr= 1--       9.373                  7.129                 11.232
 ROA1   Fr= 1--     -19.594                -14.095                 37.719
 CID1   Fr= 1--      -2.090                 -1.977                  3.358
 Raman2 Fr= 1--       1.766                  2.830                  4.584
 ROA2   Fr= 1--      -3.759                  3.335                 -3.490
 CID2   Fr= 1--      -2.128                  1.178                 -0.761
 Raman3 Fr= 1--       3.533                  5.660                  9.169
 ROA3   Fr= 1--     -19.594                -14.095                 37.719
 CID3   Fr= 1--      -5.546                 -2.490                  4.114
 RC180  Fr= 1--      -0.246                  0.588                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.10    -0.01   0.01  -0.10    -0.02  -0.01   0.02
     2   8    -0.02  -0.06   0.03    -0.00   0.04   0.01    -0.00  -0.04   0.00
     3   8     0.06   0.02   0.03     0.03  -0.00   0.02    -0.03   0.02  -0.01
     4   6    -0.02   0.33   0.35    -0.16  -0.21   0.06     0.32   0.24  -0.10
     5   6     0.19   0.08  -0.29    -0.15   0.47  -0.15    -0.24   0.12   0.13
     6   6    -0.06  -0.03   0.14     0.01   0.03  -0.02     0.03   0.03  -0.01
     7   8    -0.03   0.00  -0.04    -0.02   0.01  -0.00     0.02   0.01   0.01
     8   8    -0.15  -0.19  -0.12     0.04   0.09   0.04    -0.08  -0.14  -0.04
     9   8     0.03  -0.04   0.04     0.13  -0.28   0.10     0.04  -0.13   0.02
    10   8     0.01  -0.01  -0.02     0.01  -0.09  -0.00     0.00  -0.03   0.00
    11   1    -0.16   0.29   0.35     0.20  -0.36  -0.02     0.45   0.14  -0.15
    12   1     0.08  -0.00  -0.25     0.17   0.50  -0.19    -0.41   0.06   0.18
    13   1     0.03   0.07  -0.06     0.01  -0.08  -0.03    -0.01  -0.04   0.03
    14   1    -0.03   0.03  -0.01     0.05  -0.01  -0.01     0.02   0.01   0.00
    15   1     0.29   0.16   0.12    -0.01   0.04   0.05    -0.15  -0.20  -0.08
    16   1     0.06  -0.27   0.06     0.07   0.10   0.06    -0.03   0.40  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1209.3791              1242.2233              1258.9457
 Red. masses --      1.4098                 1.4549                 1.3303
 Frc consts  --      1.2149                 1.3228                 1.2423
 IR Inten    --     87.2214                 7.4658                 8.2811
 RamAct Fr= 1--      6.3218                 2.1824                 3.9970
  Dep-P Fr= 1--      0.4801                 0.2517                 0.2400
  Dep-U Fr= 1--      0.6488                 0.4022                 0.3872
 Alpha2 Fr= 1--      0.0342                 0.0257                 0.0487
 Beta2  Fr= 1--      0.6835                 0.1463                 0.2579
 AlphaG Fr= 1--      0.0429                -0.0001                -0.0434
 Gamma2 Fr= 1--      0.0392                -0.6953                 1.0704
 Delta2 Fr= 1--      0.3436                -0.5447                 0.9692
 Raman1 Fr= 1--      25.287                  8.729                 15.988
 ROA1   Fr= 1--      14.761                -84.178                133.771
 CID1   Fr= 1--       0.584                 -9.643                  8.367
 Raman2 Fr= 1--       8.203                  1.756                  3.095
 ROA2   Fr= 1--      -1.808                -12.329                 17.935
 CID2   Fr= 1--      -0.220                 -7.022                  5.795
 Raman3 Fr= 1--      16.405                  3.511                  6.190
 ROA3   Fr= 1--      14.761                -84.178                133.771
 CID3   Fr= 1--       0.900                -23.974                 21.611
 RC180  Fr= 1--       0.298                 -0.196                 -0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.03  -0.02    -0.08   0.02  -0.06     0.10  -0.02   0.05
     2   8     0.02   0.05   0.00    -0.01  -0.04   0.01     0.01   0.04  -0.01
     3   8    -0.07  -0.05   0.00     0.05   0.03   0.01    -0.04  -0.04  -0.01
     4   6     0.01   0.01  -0.00    -0.04   0.04   0.05     0.00  -0.01   0.02
     5   6    -0.01  -0.00   0.03    -0.04  -0.08   0.05    -0.01  -0.04  -0.02
     6   6     0.00   0.00  -0.00    -0.00  -0.04  -0.06    -0.01  -0.03  -0.04
     7   8     0.00  -0.00   0.00     0.02   0.00   0.01     0.02  -0.00   0.01
     8   8    -0.06   0.01  -0.01    -0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   8     0.00   0.01  -0.00    -0.01   0.00  -0.01    -0.01  -0.03   0.02
    10   8    -0.01  -0.00   0.00    -0.01   0.03   0.01    -0.01   0.02   0.00
    11   1     0.22  -0.38  -0.07     0.50  -0.26  -0.07    -0.20   0.46   0.10
    12   1    -0.02  -0.05   0.03     0.61   0.29  -0.07     0.28   0.55  -0.08
    13   1     0.00   0.05   0.00    -0.01   0.01  -0.01    -0.00   0.10   0.01
    14   1    -0.48   0.01  -0.10     0.23   0.00   0.02    -0.35   0.01  -0.04
    15   1     0.50   0.45   0.25     0.13   0.10   0.06    -0.15  -0.13  -0.07
    16   1     0.01  -0.03  -0.01    -0.04   0.30  -0.06    -0.05   0.37  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.5522              1306.9930              1363.2381
 Red. masses --      2.8441                 1.1794                 1.2036
 Frc consts  --      2.8257                 1.1870                 1.3179
 IR Inten    --    119.4982                56.8636                14.5788
 RamAct Fr= 1--      4.6171                 3.0366                 4.7030
  Dep-P Fr= 1--      0.3830                 0.3592                 0.7460
  Dep-U Fr= 1--      0.5539                 0.5285                 0.8545
 Alpha2 Fr= 1--      0.0363                 0.0259                 0.0003
 Beta2  Fr= 1--      0.4262                 0.2675                 0.6698
 AlphaG Fr= 1--      0.0002                 0.0222                -0.0019
 Gamma2 Fr= 1--      0.7464                -1.7893                -0.1683
 Delta2 Fr= 1--     -0.2151                 0.2049                -1.7288
 Raman1 Fr= 1--      18.468                 12.147                 18.812
 ROA1   Fr= 1--      64.772               -165.221                -71.473
 CID1   Fr= 1--       3.507                -13.602                 -3.799
 Raman2 Fr= 1--       5.115                  3.210                  8.037
 ROA2   Fr= 1--      19.635                -44.583                  9.792
 CID2   Fr= 1--       3.839                -13.889                  1.218
 Raman3 Fr= 1--      10.229                  6.420                 16.075
 ROA3   Fr= 1--      64.772               -165.221                -71.473
 CID3   Fr= 1--       6.332                -25.736                 -4.446
 RC180  Fr= 1--       0.108                  0.057                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.02  -0.01   0.00    -0.04   0.00  -0.01
     2   8    -0.01   0.03  -0.00     0.01   0.02  -0.00     0.00   0.01   0.00
     3   8    -0.00  -0.00   0.00     0.00  -0.02   0.00     0.02  -0.00   0.00
     4   6     0.01  -0.01   0.03    -0.06  -0.01   0.03    -0.05  -0.03  -0.01
     5   6     0.02  -0.06   0.01    -0.04   0.05   0.04     0.04  -0.06  -0.00
     6   6     0.07   0.30   0.03     0.00  -0.01   0.00     0.02   0.05   0.01
     7   8    -0.10   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.00  -0.01
     8   8    -0.00   0.00  -0.01     0.01  -0.01  -0.03    -0.01   0.00  -0.02
     9   8    -0.05  -0.03  -0.02     0.01   0.02  -0.02     0.01   0.01   0.02
    10   8     0.07  -0.16   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
    11   1    -0.12   0.08   0.07     0.52   0.47  -0.03     0.48   0.31  -0.08
    12   1     0.36  -0.28  -0.06     0.28  -0.49  -0.01    -0.49   0.54   0.09
    13   1    -0.02  -0.54  -0.00     0.00   0.00   0.02    -0.02  -0.22  -0.01
    14   1    -0.06   0.00  -0.01    -0.25   0.01  -0.04    -0.05   0.01  -0.02
    15   1     0.05   0.04   0.02    -0.17  -0.15  -0.06     0.08   0.07   0.03
    16   1    -0.09   0.53  -0.13     0.03  -0.24   0.01     0.04  -0.21   0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1378.7156              1409.1806              1435.4982
 Red. masses --      1.4234                 1.5321                 2.1873
 Frc consts  --      1.5941                 1.7925                 2.6556
 IR Inten    --    393.5274               119.0174               133.4021
 RamAct Fr= 1--      3.7081                 1.5927                 0.9087
  Dep-P Fr= 1--      0.4018                 0.4923                 0.4295
  Dep-U Fr= 1--      0.5732                 0.6598                 0.6009
 Alpha2 Fr= 1--      0.0273                 0.0081                 0.0060
 Beta2  Fr= 1--      0.3543                 0.1751                 0.0910
 AlphaG Fr= 1--      0.0043                 0.0221                -0.0087
 Gamma2 Fr= 1--     -1.0301                 1.0393                 0.5857
 Delta2 Fr= 1--      0.0311                 0.4621                 0.6334
 Raman1 Fr= 1--      14.832                  6.371                  3.635
 ROA1   Fr= 1--     -97.892                114.559                 76.494
 CID1   Fr= 1--      -6.600                 17.982                 21.044
 Raman2 Fr= 1--       4.251                  2.102                  1.092
 ROA2   Fr= 1--     -24.970                 21.246                  8.990
 CID2   Fr= 1--      -5.874                 10.110                  8.232
 Raman3 Fr= 1--       8.503                  4.203                  2.184
 ROA3   Fr= 1--     -97.892                114.559                 76.494
 CID3   Fr= 1--     -11.513                 27.255                 35.023
 RC180  Fr= 1--       0.146                  0.320                  0.202
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.01   0.02     0.08  -0.02  -0.00     0.19  -0.04   0.01
     2   8    -0.03  -0.03  -0.00    -0.01  -0.01   0.00    -0.03  -0.01   0.00
     3   8    -0.08   0.04  -0.01    -0.04   0.01  -0.00    -0.09   0.01  -0.01
     4   6     0.04  -0.08   0.01    -0.10   0.02  -0.00    -0.11   0.15  -0.00
     5   6    -0.05   0.01   0.00     0.14   0.03   0.02    -0.07  -0.05  -0.01
     6   6     0.01   0.01  -0.01    -0.03   0.01   0.01     0.04   0.06   0.00
     7   8     0.00  -0.00   0.00     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.04   0.00  -0.03     0.01  -0.01   0.00     0.06  -0.01   0.02
     9   8     0.01   0.01   0.00    -0.04  -0.04  -0.01     0.03   0.02   0.01
    10   8    -0.00  -0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.03   0.00
    11   1    -0.03   0.45   0.07     0.34  -0.00  -0.09     0.08  -0.46  -0.09
    12   1     0.15   0.01  -0.03    -0.36  -0.18   0.11     0.10   0.25  -0.05
    13   1     0.01   0.08   0.01     0.04   0.44   0.01     0.00  -0.14   0.01
    14   1     0.71  -0.06   0.10     0.27  -0.03   0.03     0.28  -0.04   0.05
    15   1     0.32   0.28   0.13    -0.08  -0.07  -0.05    -0.37  -0.35  -0.16
    16   1     0.03  -0.16   0.02    -0.09   0.60  -0.11     0.08  -0.45   0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1476.1282              1783.6291              1817.0414
 Red. masses --      1.4953                 8.8286                 8.3662
 Frc consts  --      1.9197                16.5482                16.2746
 IR Inten    --    181.8951               376.9580               266.8064
 RamAct Fr= 1--      0.8502                27.4351                 8.2417
  Dep-P Fr= 1--      0.3667                 0.1006                 0.6779
  Dep-U Fr= 1--      0.5366                 0.1827                 0.8080
 Alpha2 Fr= 1--      0.0071                 0.4797                 0.0105
 Beta2  Fr= 1--      0.0760                 0.8356                 1.1099
 AlphaG Fr= 1--      0.0036                -0.0724                 0.0334
 Gamma2 Fr= 1--     -0.4300                -0.6803                 0.5238
 Delta2 Fr= 1--     -0.0601                -0.2348                 0.2658
 Raman1 Fr= 1--       3.401                109.741                 32.967
 ROA1   Fr= 1--     -43.198                -72.819                 58.790
 CID1   Fr= 1--     -12.702                 -0.664                  1.783
 Raman2 Fr= 1--       0.912                 10.027                 13.319
 ROA2   Fr= 1--      -9.838                -14.448                 10.445
 CID2   Fr= 1--     -10.783                 -1.441                  0.784
 Raman3 Fr= 1--       1.825                 20.054                 26.637
 ROA3   Fr= 1--     -43.198                -72.819                 58.790
 CID3   Fr= 1--     -23.672                 -3.631                  2.207
 RC180  Fr= 1--       0.073                 -0.635                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.00     0.15   0.50  -0.03    -0.14  -0.42   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.30   0.02     0.08   0.24  -0.02
     3   8     0.03  -0.00   0.00     0.00  -0.05   0.00     0.01   0.04  -0.00
     4   6     0.02  -0.00   0.00    -0.00  -0.05   0.00    -0.01   0.02  -0.01
     5   6    -0.05  -0.04  -0.01    -0.00   0.00  -0.01    -0.02  -0.00   0.00
     6   6     0.02   0.13  -0.01     0.42  -0.13   0.09     0.45  -0.21   0.09
     7   8     0.03  -0.03   0.01    -0.26   0.07  -0.06    -0.28   0.08  -0.06
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
     9   8     0.01   0.01   0.00    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.00    -0.06   0.01  -0.01    -0.05   0.03  -0.00
    11   1    -0.04  -0.01   0.01     0.02   0.05   0.01     0.02  -0.02  -0.01
    12   1     0.08   0.14  -0.03    -0.04  -0.04   0.00     0.00  -0.04   0.02
    13   1     0.11   0.91   0.01     0.17   0.32   0.05    -0.01   0.51  -0.03
    14   1    -0.13   0.01  -0.02    -0.39   0.05  -0.05     0.31  -0.03   0.04
    15   1    -0.01  -0.00   0.00    -0.02  -0.02  -0.01     0.03   0.04   0.01
    16   1     0.04  -0.26   0.05    -0.07   0.22  -0.03    -0.04   0.15  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2997.8213              3014.5678              3175.9377
 Red. masses --      1.0807                 1.0839                 1.0747
 Frc consts  --      5.7223                 5.8035                 6.3868
 IR Inten    --     10.9764                16.6138              1049.7139
 RamAct Fr= 1--    152.2956                 6.5291                87.4301
  Dep-P Fr= 1--      0.1606                 0.1966                 0.2262
  Dep-U Fr= 1--      0.2767                 0.3285                 0.3689
 Alpha2 Fr= 1--      2.2918                 0.0895                 1.1067
 Beta2  Fr= 1--      7.0236                 0.3575                 5.3754
 AlphaG Fr= 1--      0.3441                 0.0495                -0.1404
 Gamma2 Fr= 1--      3.2905                -1.8008                -2.3252
 Delta2 Fr= 1--      3.7607                -3.7295                 0.7136
 Raman1 Fr= 1--     609.183                 26.117                349.720
 ROA1   Fr= 1--     436.231               -292.220               -200.385
 CID1   Fr= 1--       0.716                -11.189                 -0.573
 Raman2 Fr= 1--      84.283                  4.290                 64.505
 ROA2   Fr= 1--      48.886                -13.383                -61.513
 CID2   Fr= 1--       0.580                 -3.120                 -0.954
 Raman3 Fr= 1--     168.567                  8.580                129.010
 ROA3   Fr= 1--     436.231               -292.220               -200.385
 CID3   Fr= 1--       2.588                -34.057                 -1.553
 RC180  Fr= 1--      -0.447                 -0.343                 -0.262
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.01  -0.01   0.04    -0.01   0.01  -0.07     0.00   0.00  -0.00
     5   6    -0.01  -0.00  -0.07    -0.01  -0.00  -0.04     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.01  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.06   0.01  -0.00
    11   1    -0.10   0.04  -0.53     0.15  -0.07   0.82    -0.00   0.00   0.00
    12   1     0.15   0.01   0.82     0.09   0.01   0.53    -0.00  -0.00  -0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.98  -0.16   0.07
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00   0.01  -0.00
    16   1    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00    -0.02   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3596.8318              3608.6584              3753.5768
 Red. masses --      1.0646                 1.0645                 1.0657
 Frc consts  --      8.1146                 8.1676                 8.8468
 IR Inten    --    180.5898               183.5280                88.7759
 RamAct Fr= 1--     46.4242                38.5498                46.1654
  Dep-P Fr= 1--      0.0642                 0.0967                 0.1334
  Dep-U Fr= 1--      0.1206                 0.1764                 0.2354
 Alpha2 Fr= 1--      0.8865                 0.6804                 0.7441
 Beta2  Fr= 1--      0.9332                 1.1334                 1.8114
 AlphaG Fr= 1--     -0.1119                -0.0111                -0.1075
 Gamma2 Fr= 1--     -0.7789                 1.2707                -0.1337
 Delta2 Fr= 1--     -0.1413                 0.1643                -0.5122
 Raman1 Fr= 1--     185.697                154.199                184.662
 ROA1   Fr= 1--     -79.300                127.250                -29.228
 CID1   Fr= 1--      -0.427                  0.825                 -0.158
 Raman2 Fr= 1--      11.198                 13.601                 21.736
 ROA2   Fr= 1--     -17.564                 29.183                  0.888
 CID2   Fr= 1--      -1.569                  2.146                  0.041
 Raman3 Fr= 1--      22.396                 27.202                 43.473
 ROA3   Fr= 1--     -79.300                127.250                -29.228
 CID3   Fr= 1--      -3.541                  4.678                 -0.672
 RC180  Fr= 1--      -0.759                 -0.647                 -0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.00  -0.00    -0.01  -0.06   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.05   0.01
     9   8    -0.06  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.02   0.00   0.00    -0.02   0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01  -0.05   0.00     0.13   0.99  -0.02    -0.00  -0.05   0.00
    15   1     0.01  -0.02   0.00    -0.03   0.03  -0.00    -0.59   0.80  -0.10
    16   1     0.96   0.13   0.22     0.05   0.01   0.01     0.02   0.00   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   860.390701690.060542490.25697
           X            0.99999   0.00482  -0.00227
           Y           -0.00483   0.99998  -0.00298
           Z            0.00226   0.00299   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10067     0.05125     0.03478
 Rotational constants (GHZ):           2.09758     1.06786     0.72472
 Zero-point vibrational energy     303734.1 (Joules/Mol)
                                   72.59420 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     75.95   100.81   143.73   355.68   359.08
          (Kelvin)            472.63   499.55   528.92   565.96   643.28
                              720.59   744.35   805.10   857.40   952.20
                             1033.50  1087.58  1094.64  1285.83  1307.17
                             1335.68  1528.73  1572.64  1573.28  1740.03
                             1787.28  1811.34  1868.33  1880.47  1961.40
                             1983.66  2027.50  2065.36  2123.82  2566.24
                             2614.32  4313.20  4337.29  4569.47  5175.04
                             5192.05  5400.56
 
 Zero-point correction=                           0.115686 (Hartree/Particle)
 Thermal correction to Energy=                    0.125067
 Thermal correction to Enthalpy=                  0.126011
 Thermal correction to Gibbs Free Energy=         0.080413
 Sum of electronic and zero-point Energies=           -607.574404
 Sum of electronic and thermal Energies=              -607.565024
 Sum of electronic and thermal Enthalpies=            -607.564080
 Sum of electronic and thermal Free Energies=         -607.609677
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.480             34.486             95.968
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.672
 Vibrational             76.703             28.524             25.369
 Vibration     1          0.596              1.976              4.710
 Vibration     2          0.598              1.968              4.152
 Vibration     3          0.604              1.949              3.456
 Vibration     4          0.661              1.767              1.750
 Vibration     5          0.662              1.763              1.734
 Vibration     6          0.712              1.619              1.267
 Vibration     7          0.725              1.581              1.179
 Vibration     8          0.740              1.539              1.090
 Vibration     9          0.761              1.484              0.987
 Vibration    10          0.806              1.367              0.805
 Vibration    11          0.856              1.248              0.656
 Vibration    12          0.872              1.212              0.616
 Vibration    13          0.915              1.119              0.525
 Vibration    14          0.954              1.040              0.457
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.102917D-36        -36.987512        -85.166893
 Total V=0       0.167652D+17         16.224409         37.358082
 Vib (Bot)       0.209199D-50        -50.679440       -116.693724
 Vib (Bot)    1  0.391510D+01          0.592742          1.364840
 Vib (Bot)    2  0.294352D+01          0.468868          1.079608
 Vib (Bot)    3  0.205439D+01          0.312684          0.719981
 Vib (Bot)    4  0.790535D+00         -0.102079         -0.235046
 Vib (Bot)    5  0.782181D+00         -0.106693         -0.245669
 Vib (Bot)    6  0.569316D+00         -0.244647         -0.563320
 Vib (Bot)    7  0.532343D+00         -0.273809         -0.630468
 Vib (Bot)    8  0.496046D+00         -0.304478         -0.701086
 Vib (Bot)    9  0.455301D+00         -0.341701         -0.786796
 Vib (Bot)   10  0.384453D+00         -0.415156         -0.955933
 Vib (Bot)   11  0.327913D+00         -0.484241         -1.115006
 Vib (Bot)   12  0.312756D+00         -0.504794         -1.162331
 Vib (Bot)   13  0.277868D+00         -0.556162         -1.280610
 Vib (Bot)   14  0.251620D+00         -0.599255         -1.379836
 Vib (V=0)       0.340785D+03          2.532480          5.831251
 Vib (V=0)    1  0.444689D+01          0.648057          1.492206
 Vib (V=0)    2  0.348569D+01          0.542289          1.248666
 Vib (V=0)    3  0.261436D+01          0.417366          0.961021
 Vib (V=0)    4  0.143539D+01          0.156968          0.361433
 Vib (V=0)    5  0.142834D+01          0.154830          0.356510
 Vib (V=0)    6  0.125771D+01          0.099580          0.229291
 Vib (V=0)    7  0.123033D+01          0.090023          0.207286
 Vib (V=0)    8  0.120432D+01          0.080741          0.185912
 Vib (V=0)    9  0.117624D+01          0.070496          0.162322
 Vib (V=0)   10  0.113072D+01          0.053354          0.122852
 Vib (V=0)   11  0.109794D+01          0.040577          0.093432
 Vib (V=0)   12  0.108976D+01          0.037331          0.085957
 Vib (V=0)   13  0.107202D+01          0.030204          0.069548
 Vib (V=0)   14  0.105974D+01          0.025201          0.058027
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.681187D+06          5.833267         13.431593
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    33             3    32                                       11         111111111 1  111                                   
     7    65             1    09                                       87         444333222 2  000  998   777 6 5 55543333 22    1   
     5    09             7    19                                       18         730760954 0  996  209   651 6 9 61049642 54    075 
     4    97             6    58                                       74         659937992 9  333  894   168 2 6 07173878 07    003 
 
     X    XX             X    XX                                       XX         XXXXXXXXX X  XXX  XXX   XXX X X XXXXXXXX XX    XXX 
     X    XX             X                                             XX         XXXX  X   X  X      X              X               
          XX             X                                             XX         XX X                               X               
                         X                                             XX            X                                               
                         X                                             XX            X                                               
                         X                                              X            X                                               
                         X                                              X            X                                               
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000007738   -0.000008173   -0.000001522
      2        8           0.000001648   -0.000001295    0.000001220
      3        8           0.000001751    0.000002442    0.000001220
      4        6           0.000477780    0.008318076    0.000708473
      5        6          -0.000037645    0.008343015   -0.000231519
      6        6           0.000000992   -0.000001732   -0.000001707
      7        8           0.000004496   -0.000004917    0.000001812
      8        8           0.000005405    0.000002382   -0.000001042
      9        8          -0.000004796    0.000001437    0.000004323
     10        8          -0.000001287    0.000004163    0.000000540
     11        1          -0.000391200   -0.008323578   -0.000567945
     12        1          -0.000045168   -0.008343739    0.000085983
     13        1           0.000000009    0.000007618   -0.000003661
     14        1          -0.000001640   -0.000000241    0.000004678
     15        1          -0.000000508    0.000001804   -0.000000544
     16        1          -0.000002098    0.000002738   -0.000000309
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008343739 RMS     0.002410770
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.875972D+02  0.500681D+00  0.247640D+01
      2   0.500681D+00  0.783548D+02 -0.958035D+00
      3   0.247640D+01 -0.958035D+00  0.528427D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.202301D+01 -0.106084D+01 -0.662480D+01
      2  -0.285163D+01 -0.106957D+01 -0.366497D+01
      3  -0.120208D+02 -0.939012D+00 -0.462678D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.104525D+02  0.162334D+02 -0.864346D+01
      2   0.410781D+01 -0.919493D+01  0.566049D+01
      3   0.634466D+01 -0.703848D+01  0.298297D+01
      4   0.169983D+02 -0.392795D+01  0.311635D-01
      5  -0.803129D+01  0.739857D+00 -0.411998D+01
      6  -0.510063D+00  0.132050D+01  0.157386D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.188878D+01 -0.672603D+00 -0.145693D+00  0.258310D+01  0.189865D+01
      2  -0.672603D+00  0.224763D+01  0.137033D+00  0.189865D+01  0.514721D+01
      3  -0.145693D+00  0.137033D+00  0.390884D+00 -0.351027D-01 -0.393574D+00
                 6             7             8             9            10 
      1  -0.351027D-01 -0.728342D+00  0.474626D+00  0.394423D+00 -0.282932D+01
      2  -0.393574D+00  0.474626D+00 -0.451229D+00  0.256080D+00 -0.226818D+01
      3   0.104570D+00  0.394423D+00  0.256080D+00 -0.559170D+00  0.182039D+00
                11            12            13            14            15 
      1  -0.226818D+01  0.182039D+00 -0.558380D+01 -0.780805D+00  0.789211D-01
      2  -0.115643D+01  0.120404D+00 -0.780805D+00 -0.115091D+02  0.390071D+00
      3   0.120404D+00 -0.522535D+00  0.789211D-01  0.390071D+00 -0.182586D+01
                16            17            18            19            20 
      1   0.313002D+00  0.967640D-01 -0.457925D+00  0.913774D+01 -0.224331D+00
      2   0.967640D-01  0.405459D+00 -0.269746D+01 -0.224331D+00  0.548527D+00
      3  -0.457925D+00 -0.269746D+01  0.475549D+00  0.262314D+00  0.613523D-01
                21            22            23            24            25 
      1   0.262314D+00 -0.255006D+01  0.125669D+01  0.285829D-01  0.103077D+01
      2   0.613523D-01  0.125669D+01 -0.344308D+01  0.108770D+00 -0.223787D+00
      3   0.128009D+01  0.285829D-01  0.108770D+00 -0.180591D+00  0.239944D+01
                26            27            28            29            30 
      1  -0.223787D+00  0.239944D+01  0.384640D+01 -0.824912D+00 -0.663456D+00
      2   0.154835D+00  0.198918D+00 -0.824912D+00 -0.155208D+01 -0.437989D+00
      3   0.198918D+00  0.439438D+00 -0.663456D+00 -0.437989D+00  0.144422D+01
                31            32            33            34            35 
      1  -0.116428D+01 -0.233133D+01  0.696380D-01 -0.155448D+01 -0.917115D+00
      2  -0.233133D+01 -0.220296D+01 -0.306396D+00 -0.917115D+00  0.712647D-01
      3   0.696380D-01 -0.306396D+00  0.110466D-01  0.167554D+01 -0.487601D+00
                36            37            38            39            40 
      1   0.167554D+01 -0.410529D+01  0.122503D+01  0.402585D+00 -0.759529D+00
      2  -0.487601D+00  0.122503D+01  0.191296D+01  0.393611D-01  0.237105D+01
      3   0.630784D+01  0.402585D+00  0.393611D-01 -0.139114D+01  0.223488D+00
                41            42            43            44            45 
      1   0.237105D+01  0.223488D+00  0.942764D+00 -0.706820D+00 -0.188453D+01
      2  -0.963416D+00  0.406732D+00 -0.706820D+00  0.357562D+00  0.608218D+00
      3   0.406732D+00  0.606792D+00 -0.188453D+01  0.608218D+00 -0.654775D+01
                46            47            48            49            50 
      1   0.648284D+01 -0.267758D+01  0.107032D+01 -0.405992D+01 -0.139766D+01
      2  -0.267758D+01  0.947392D+00 -0.798230D-01 -0.139766D+01  0.193301D+00
      3   0.107032D+01 -0.798230D-01  0.516634D+00 -0.252093D+00 -0.263068D+00
                51            52            53            54            55 
      1  -0.252093D+00  0.159213D+01 -0.242855D-01  0.362294D+00 -0.148893D+02
      2  -0.263068D+00 -0.242855D-01  0.291989D+00 -0.556419D+00  0.176228D+01
      3  -0.757154D+00  0.362294D+00 -0.556419D+00  0.835438D+00 -0.135621D+01
                56            57            58            59            60 
      1   0.176228D+01 -0.135621D+01  0.186224D+01 -0.233215D+01  0.133697D+00
      2  -0.380562D+01  0.179923D+00 -0.233215D+01  0.203044D+01 -0.365289D+00
      3   0.179923D+00 -0.217864D+01  0.133697D+00 -0.365289D+00  0.821417D+00
                61            62            63            64            65 
      1  -0.196911D+01  0.884289D-01 -0.352758D+01  0.525742D+01  0.141522D+01
      2   0.884289D-01 -0.815930D+00  0.524032D+00  0.141522D+01  0.458822D+01
      3  -0.352758D+01  0.524032D+00 -0.165017D+01  0.503399D+00  0.203792D-02
                66            67            68            69            70 
      1   0.503399D+00  0.587084D+00  0.365347D+01 -0.168967D+00  0.113415D+01
      2   0.203792D-02  0.365347D+01  0.178590D+01  0.422337D+00  0.415241D+00
      3   0.248598D+00 -0.168967D+00  0.422337D+00 -0.280902D+00  0.627195D+00
                71            72            73            74            75 
      1   0.415241D+00  0.627195D+00  0.252942D+01  0.165927D+01  0.180587D+00
      2   0.122001D+01  0.108568D+01  0.165927D+01  0.150821D+01 -0.252293D+00
      3   0.108568D+01  0.202975D+00  0.180587D+00 -0.252293D+00  0.852813D+00
                76            77            78            79            80 
      1   0.234888D+01 -0.155174D+01 -0.403149D+00  0.593474D+00  0.727542D-01
      2  -0.155174D+01  0.715343D+01  0.985234D-01  0.727542D-01  0.283466D+00
      3  -0.403149D+00  0.985234D-01  0.378362D+00 -0.227522D+00  0.122042D+01
                81            82            83            84            85 
      1  -0.227522D+00 -0.791381D+01 -0.152487D+01  0.384226D-01  0.582729D+00
      2   0.122042D+01 -0.152487D+01 -0.136964D+01  0.138875D+00 -0.329056D+00
      3   0.372189D+00  0.384226D-01  0.138875D+00 -0.152109D+00  0.240015D+00
                86            87            88            89            90 
      1  -0.329056D+00  0.240015D+00 -0.205206D+00  0.177152D+00  0.159220D+00
      2  -0.740217D+01  0.112556D+00  0.177152D+00 -0.181444D+00 -0.201714D+01
      3   0.112556D+00 -0.114854D+01  0.159220D+00 -0.201714D+01  0.123836D+00
                91            92            93            94            95 
      1  -0.154043D+01  0.123800D+00 -0.102828D+01  0.178431D+00  0.420091D+00
      2   0.123800D+00  0.114903D-01  0.588653D-01  0.420091D+00  0.629839D+00
      3  -0.102828D+01  0.588653D-01 -0.127256D+01 -0.731767D-01 -0.110445D+01
                96            97            98            99           100 
      1  -0.731767D-01 -0.147894D+01  0.277448D+00 -0.604218D+00  0.164061D+01
      2  -0.110445D+01  0.277448D+00 -0.183616D+01  0.606039D+00 -0.220018D+00
      3   0.555694D+00 -0.604218D+00  0.606039D+00 -0.777483D+01  0.111023D+01
               101           102           103           104           105 
      1  -0.220018D+00  0.111023D+01 -0.180640D+00 -0.328356D+00 -0.595481D-02
      2  -0.114761D+00 -0.342956D-01 -0.328356D+00  0.277637D+00  0.108154D+01
      3  -0.342956D-01  0.131641D+01 -0.595481D-02  0.108154D+01  0.243552D+00
               106           107           108           109           110 
      1   0.173369D+01  0.210013D+00  0.970720D+00  0.910658D+01 -0.416755D+00
      2   0.210013D+00  0.156054D+01  0.964121D-01 -0.416755D+00  0.138610D+01
      3   0.970720D+00  0.964121D-01  0.810633D+01 -0.738140D-01 -0.751836D-01
               111           112           113           114           115 
      1  -0.738140D-01 -0.239325D+00  0.300900D+00 -0.722059D-01  0.275997D+00
      2  -0.751836D-01  0.300900D+00 -0.161571D+01  0.930165D-01 -0.922523D-01
      3   0.384942D+00 -0.722059D-01  0.930165D-01 -0.500736D+00 -0.521288D-01
               116           117           118           119           120 
      1  -0.922523D-01 -0.521288D-01  0.187457D+01  0.134847D+01  0.122258D-01
      2   0.227309D+00 -0.528804D+00  0.134847D+01  0.681099D+00  0.377328D-01
      3  -0.528804D+00  0.132003D+00  0.122258D-01  0.377328D-01  0.682537D+00
               121           122           123           124           125 
      1   0.388089D+01  0.922795D+00  0.110875D+00 -0.146625D+00  0.373074D-01
      2   0.922795D+00  0.435825D+01 -0.309691D-01  0.373074D-01 -0.444218D-01
      3   0.110875D+00 -0.309691D-01  0.634660D+00  0.657423D+00  0.348959D+00
               126           127           128           129           130 
      1   0.657423D+00 -0.180309D+01  0.719170D+00 -0.292292D-01  0.195982D+01
      2   0.348959D+00  0.719170D+00 -0.240496D+01 -0.111093D-01 -0.874378D+00
      3   0.884292D-01 -0.292292D-01 -0.111093D-01 -0.314889D+00  0.246232D-01
               131           132           133           134           135 
      1  -0.874378D+00  0.246232D-01 -0.352887D+00  0.547059D-01  0.926562D-01
      2   0.596518D+01 -0.145521D+00  0.547059D-01 -0.514256D+00  0.822823D+00
      3  -0.145521D+00  0.112686D+01  0.926562D-01  0.822823D+00 -0.755277D-01
               136           137           138           139           140 
      1  -0.490552D+01  0.576008D+00 -0.465446D+00  0.554365D+00 -0.898166D+00
      2   0.576008D+00 -0.342814D+01  0.115109D+00 -0.898166D+00 -0.404734D+00
      3  -0.465446D+00  0.115109D+00 -0.128526D+01  0.100810D+00 -0.104283D+00
               141           142           143           144 
      1   0.100810D+00 -0.118039D+01  0.598183D-01 -0.585000D+00
      2  -0.104283D+00  0.598183D-01 -0.728993D+00  0.519845D+00
      3   0.210831D+00 -0.585000D+00  0.519845D+00 -0.476586D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.555391D-01 -0.594724D+00  0.116211D+01 -0.272940D+01  0.111891D+01
      2   0.117829D+01 -0.151376D+01 -0.531630D+01 -0.258088D+01 -0.324708D+00
      3  -0.181047D+00 -0.450062D+01  0.741317D+00 -0.825895D+01 -0.525184D+01
                 6             7             8             9            10 
      1   0.774165D+01 -0.873952D+00  0.104824D+02 -0.193974D+01  0.472594D+00
      2   0.190232D+00 -0.138373D+02  0.301864D+01 -0.275926D+01 -0.160546D+00
      3   0.138458D+01  0.279618D+01  0.161599D+01 -0.178545D+01  0.798180D+01
                11            12            13            14            15 
      1   0.248638D+00 -0.710933D+00  0.408771D+00  0.135474D+01 -0.101098D+02
      2   0.226019D+00  0.329931D+01  0.252490D+00  0.541653D+00 -0.163936D+01
      3  -0.754851D+00 -0.610185D+00  0.189257D+02  0.168589D+02 -0.888419D+00
                16            17            18            19            20 
      1   0.157726D+01 -0.551872D+00  0.123554D+01  0.404902D+00 -0.280915D-01
      2  -0.280910D+01 -0.517025D+01  0.109598D+01  0.126921D+01  0.866878D-01
      3  -0.173312D+01 -0.440271D+00  0.511158D+01 -0.239061D+01 -0.844877D+01
                21            22            23            24            25 
      1  -0.285895D+00  0.461372D+00 -0.618949D+00 -0.244854D+01  0.168927D+01
      2   0.928719D+01  0.765188D+00  0.235340D+00 -0.159495D+01  0.514550D+01
      3  -0.158859D+00  0.252826D+00  0.143643D+02 -0.147247D+00 -0.874556D+00
                26            27            28            29            30 
      1   0.132707D+01  0.373741D+00  0.136310D+01  0.652593D+00  0.163641D+01
      2  -0.182132D+01  0.166021D+01 -0.179778D+01  0.138178D+00  0.234031D+01
      3  -0.129591D+01 -0.138473D+01 -0.106557D+01 -0.211710D+01 -0.104857D+00
                31            32            33            34            35 
      1   0.271987D+01  0.134466D+01 -0.161809D+01  0.134409D+00  0.169944D+01
      2   0.143151D+01 -0.196149D+00 -0.239514D+01 -0.331070D+01 -0.829926D+00
      3   0.599271D+01  0.101668D+01 -0.464832D+00  0.569340D-01 -0.991477D+00
                36            37            38            39            40 
      1  -0.418534D+00 -0.139576D+01  0.168382D+01 -0.157893D+01  0.991837D+00
      2   0.275012D+01  0.268783D+00 -0.354577D+00  0.264379D+01 -0.119923D+01
      3   0.977296D+00  0.154880D+01 -0.142320D+01  0.404075D+00  0.686341D+01
                41            42            43            44            45 
      1  -0.299118D+00 -0.147725D+01 -0.111770D+00  0.211426D+01  0.758679D+00
      2  -0.396055D+00  0.207656D+01 -0.346283D+01 -0.717408D+00  0.296678D+01
      3   0.180214D+01  0.295656D+00  0.194962D+00 -0.528145D+00 -0.417244D+00
                46            47            48            49            50 
      1   0.489749D+00 -0.463081D+01 -0.724100D+00 -0.287151D+01 -0.121000D+01
      2   0.277767D+01  0.202566D+01 -0.821692D+01  0.194700D+01  0.780031D+00
      3  -0.589976D+01  0.693311D+01 -0.111861D+01  0.255559D+01 -0.422821D+01
                51            52            53            54            55 
      1   0.587392D+01  0.234895D+01  0.130469D+02  0.108153D+01 -0.845770D+00
      2   0.178063D+01 -0.130831D+02 -0.257437D+01 -0.517739D+01  0.116609D+01
      3   0.132536D+01 -0.115498D+01  0.515694D+01 -0.725723D+00  0.971029D+01
                56            57            58            59            60 
      1   0.211534D+01  0.869772D-01  0.697924D+00 -0.481043D+00 -0.335381D+01
      2  -0.705384D+00  0.134284D+02 -0.692131D+00  0.901972D+00 -0.161551D+01
      3  -0.201495D+02  0.108771D+01 -0.267148D+01  0.931673D+01 -0.104788D+01
                61            62            63            64            65 
      1  -0.266335D+01  0.147519D+01 -0.102017D+01 -0.726456D+00 -0.252723D+00
      2   0.513010D+01  0.117038D+01  0.476431D+01  0.825542D+00  0.495382D+00
      3   0.850813D+00 -0.435182D+01  0.302104D+01  0.117704D+02 -0.111433D+02
                66            67            68            69            70 
      1  -0.264059D+01 -0.707548D+00 -0.241916D+01 -0.393399D+01 -0.114860D+01
      2   0.399399D+01 -0.685059D+00  0.308938D+00  0.175358D+01 -0.165557D+01
      3   0.456911D+00 -0.378555D+01  0.476163D+01 -0.339837D+00  0.256649D+01
                71            72            73            74            75 
      1   0.302962D+01 -0.176236D+01 -0.137330D+01 -0.762477D+00 -0.365565D+00
      2   0.127679D+01  0.993649D+00  0.292592D+00 -0.565226D+00  0.185556D+01
      3  -0.147005D+01 -0.346754D+00  0.132179D+02  0.773209D+01  0.122475D+01
                76            77            78            79            80 
      1  -0.561345D+00  0.173696D+01 -0.629596D+01 -0.489771D-01  0.111028D+01
      2   0.619311D+00  0.977936D-01 -0.225598D+01 -0.298146D+01 -0.770581D-01
      3   0.941278D+01  0.851376D+01 -0.145078D-02  0.216334D+01  0.189283D+01
                81            82            83            84            85 
      1   0.479414D+00  0.349855D+00  0.818109D+00 -0.785555D+00 -0.401840D+00
      2  -0.189487D+00  0.401274D+00 -0.344907D+00  0.369612D+01 -0.315473D+00
      3   0.120002D+01  0.219647D+02 -0.563284D+01 -0.203731D-01  0.599069D+01
                86            87            88            89            90 
      1  -0.788996D+00 -0.771310D+01 -0.184298D+01 -0.235523D+01 -0.296323D+00
      2  -0.223841D+00  0.342117D+00 -0.115525D+01  0.393391D+01  0.430014D+00
      3  -0.819114D+01  0.533417D-01  0.114987D+01 -0.142569D+01 -0.337950D+01
                91            92            93            94            95 
      1   0.152292D-01  0.309504D+00  0.646143D+00  0.380414D+00 -0.637809D+00
      2  -0.196922D+01  0.125168D+00 -0.153717D+00  0.551710D-01 -0.750261D+00
      3  -0.101483D+01 -0.448449D+00 -0.490430D+00  0.893571D+00 -0.406349D+00
                96            97            98            99           100 
      1  -0.109498D-01  0.198002D+00  0.306557D+01  0.247318D+01 -0.218704D+00
      2   0.158397D+00 -0.345611D+01  0.366524D+00 -0.432346D+01 -0.200707D+01
      3   0.609747D+00 -0.101552D+01  0.133641D+01 -0.925255D+00  0.625161D+00
               101           102           103           104           105 
      1   0.391295D+00 -0.633632D+00  0.161074D+00 -0.194974D+00  0.530073D-01
      2  -0.173922D+00 -0.151841D+00  0.109070D+00 -0.542261D+00 -0.115563D+00
      3  -0.869739D+00  0.505505D+00  0.699304D+00 -0.222355D+00  0.679471D+00
               106           107           108           109           110 
      1  -0.378226D+00  0.297415D+01 -0.288930D+01 -0.649408D+00  0.611690D-02
      2  -0.396429D+01  0.924560D-01 -0.451325D+01 -0.892416D+00  0.124472D+00
      3   0.669982D+00  0.785918D+00  0.326244D+00 -0.280722D+02  0.762168D+01
               111           112           113           114           115 
      1   0.111903D+01 -0.644193D-01  0.658942D-01 -0.504691D+00  0.136365D+00
      2  -0.297237D+01  0.125615D+00 -0.286855D+00  0.336922D+00 -0.311203D+01
      3   0.228804D+00  0.376080D+01 -0.188532D+01  0.203088D+00 -0.100746D+01
               116           117           118           119           120 
      1   0.481690D+00  0.187950D+00  0.253601D+00 -0.172277D+00 -0.890034D+00
      2   0.507129D+00  0.360354D-01  0.170781D-01 -0.144377D+00  0.100606D+01
      3   0.424182D+00 -0.166242D+00 -0.456235D+01 -0.106571D+01 -0.104840D+00
               121           122           123           124           125 
      1  -0.264654D-01  0.648243D+00  0.123086D+00  0.227898D+00  0.136798D+01
      2   0.804014D-01  0.120334D+00  0.287873D+01  0.326661D+00  0.157171D+01
      3  -0.151758D+01 -0.200052D+02 -0.877222D-01  0.675435D-02  0.418105D+00
               126           127           128           129           130 
      1   0.481764D-01 -0.128483D+00 -0.344838D-01  0.111438D+01 -0.199976D+00
      2   0.366205D-01 -0.453175D+00  0.141617D+00 -0.681105D+00  0.269640D+00
      3  -0.931522D+00 -0.968122D+01  0.558931D+01  0.457493D-01  0.848456D+01
               131           132           133           134           135 
      1   0.242458D+00 -0.270942D+01 -0.170855D+00 -0.791622D+00  0.161721D+00
      2  -0.284362D+00  0.891709D+00 -0.138779D+01  0.730910D+00  0.129447D+00
      3  -0.114473D+02  0.193182D+00 -0.130364D+01  0.750739D+00 -0.617929D+00
               136           137           138           139           140 
      1   0.193332D+01  0.250166D+00  0.285018D+01  0.503109D+00  0.617258D+00
      2   0.321815D+00 -0.401029D-01  0.236279D+01 -0.182612D+00  0.184332D-01
      3  -0.142020D+02 -0.104992D+02 -0.160768D+01 -0.379919D+01 -0.474614D+01
               141           142           143           144 
      1  -0.373596D-01  0.117700D+01  0.701239D+00  0.104752D+01
      2  -0.792358D+00 -0.185859D+00 -0.172839D+01  0.861445D+00
      3  -0.528807D+00 -0.336605D+01 -0.187774D+01  0.441601D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.207994D+02  0.413176D+01 -0.122133D+00  0.215112D+01  0.242308D+02
      2   0.119315D+02 -0.624265D+01  0.128856D+01 -0.221364D+00 -0.302050D+02
      3   0.886791D+01  0.211090D+01 -0.116643D+01 -0.192976D+01  0.597420D+01
      4  -0.382488D+01  0.132159D+00  0.257133D+00 -0.387425D+01  0.812368D+01
      5  -0.948381D+00 -0.404372D+00 -0.850202D+01 -0.106814D+00  0.194571D+00
      6  -0.274920D+00  0.401271D+00 -0.342179D+01  0.877794D+00 -0.101062D+01
                 6             7             8             9            10 
      1  -0.110335D+01 -0.409361D+01 -0.250365D+01 -0.390759D+01 -0.387325D+01
      2  -0.238798D+00  0.301264D+01  0.254464D+01 -0.674615D+01  0.678700D+01
      3   0.134215D+01  0.108097D+01 -0.409923D-01  0.106537D+02 -0.291375D+01
      4  -0.352763D+00  0.186252D+01 -0.145085D+01  0.337267D+00 -0.250767D+01
      5  -0.217667D+01  0.366180D+01  0.173456D+01 -0.303505D+01  0.363553D+00
      6  -0.918819D+01 -0.539886D+00  0.220941D+01  0.184691D+01 -0.233682D+00
                11            12            13            14            15 
      1  -0.943498D+01  0.234067D+00 -0.148294D+02 -0.368404D+02  0.192058D+00
      2   0.817678D+01 -0.276965D+00  0.941189D+01  0.528442D+02 -0.905282D-01
      3   0.125821D+01  0.428976D-01  0.541749D+01 -0.160038D+02 -0.101529D+00
      4   0.152396D+02 -0.596648D+00  0.140503D+02 -0.254601D+02  0.438395D+00
      5  -0.106166D+00  0.520038D+01  0.243902D-01 -0.133115D+00 -0.311439D+01
      6  -0.131962D-01  0.155732D+01 -0.897917D+00  0.101879D+01  0.154536D+02
                16            17            18            19            20 
      1   0.643346D+00  0.151582D+01 -0.101674D+02  0.654289D+02 -0.178284D+01
      2  -0.982565D+00 -0.124852D+01  0.764786D+01 -0.393446D+02  0.143816D+01
      3   0.339219D+00 -0.267300D+00  0.251950D+01 -0.260843D+02  0.344683D+00
      4  -0.587447D+00  0.296753D+00 -0.722234D+01 -0.348961D+01  0.985132D+01
      5   0.308638D+01 -0.842363D+01  0.112501D+01  0.109871D+01  0.501054D+00
      6   0.969102D+00  0.142582D+02 -0.147528D+01  0.560009D+00 -0.200090D+00
                21            22            23            24            25 
      1   0.115572D+01 -0.104828D+02  0.348151D+01  0.484807D-01  0.371249D+01
      2  -0.776858D+00  0.514892D+01  0.104336D+00  0.208931D+00 -0.296627D+01
      3  -0.378860D+00  0.533388D+01 -0.358584D+01 -0.257411D+00 -0.746224D+00
      4   0.379597D+00  0.125233D+02 -0.165986D+02  0.797052D+00  0.644975D-01
      5   0.177821D+02  0.299601D-01  0.594602D+00 -0.147233D+01  0.195612D+02
      6   0.214073D+00  0.369819D+00 -0.264401D+00  0.439843D+01 -0.208634D+01
                26            27            28            29            30 
      1   0.721320D+00  0.106667D+02 -0.396949D+00  0.350099D+01  0.211385D+01
      2   0.133956D+00 -0.108624D+02  0.672536D+00 -0.850514D+01  0.219975D+01
      3  -0.855276D+00  0.195695D+00 -0.275587D+00  0.500414D+01 -0.431360D+01
      4   0.731696D+00 -0.189100D+01 -0.386243D+01 -0.444778D+01 -0.124101D+01
      5   0.519906D+00  0.314412D+01 -0.200585D+01 -0.346668D-01 -0.392000D+00
      6   0.347844D+01 -0.552415D+00  0.104463D+01 -0.161683D+01 -0.741404D+00
                31            32            33            34            35 
      1  -0.281661D+01 -0.158442D+01  0.124792D+01  0.889952D+00 -0.231471D+01
      2  -0.213470D+01 -0.248834D+01 -0.451249D+00  0.190623D+01 -0.405237D+01
      3   0.495131D+01  0.407276D+01 -0.796667D+00 -0.279618D+01  0.636709D+01
      4  -0.874992D+01 -0.109146D+02  0.420453D+00 -0.556280D+01 -0.472296D-01
      5  -0.835057D-01 -0.503090D+00 -0.285505D+01  0.155926D+01  0.123434D+01
      6   0.216949D+00 -0.623983D-01 -0.234300D+01  0.308408D+01 -0.112300D-01
                36            37            38            39            40 
      1   0.959596D+01  0.187834D+01 -0.465384D+01  0.339619D+01  0.328241D+01
      2   0.757819D+01 -0.154040D+01  0.715560D+01  0.149247D+01  0.422227D+00
      3  -0.171742D+02 -0.337940D+00 -0.250176D+01 -0.488866D+01 -0.370464D+01
      4   0.207357D+01  0.183979D+01 -0.397901D+01  0.801287D-01 -0.766071D+01
      5   0.269157D+01  0.786165D-01 -0.598838D+00  0.198674D+00  0.235766D+00
      6   0.800018D+01 -0.123021D+01 -0.982597D-01  0.191914D+01  0.171027D+01
                41            42            43            44            45 
      1  -0.751721D+00 -0.150737D+01  0.504454D+01  0.129772D+01  0.103494D+02
      2  -0.499875D+01 -0.146571D+01  0.919336D+00  0.146878D+01  0.822049D+01
      3   0.575047D+01  0.297308D+01 -0.596388D+01 -0.276650D+01 -0.185699D+02
      4   0.529774D+01  0.762231D+00  0.277836D+01 -0.913791D+00 -0.352439D+01
      5  -0.264747D+00  0.277462D+01  0.117663D+01 -0.193969D+01  0.273893D+01
      6  -0.599450D+00 -0.178434D+01 -0.321619D+01  0.185642D+01 -0.735509D+01
                46            47            48            49            50 
      1  -0.467656D+02  0.421177D+01 -0.238686D+01  0.163464D+02  0.144313D+02
      2   0.298903D+02  0.244841D+00  0.548964D+01 -0.114555D+02 -0.172944D+02
      3   0.168753D+02 -0.445661D+01 -0.310277D+01 -0.489092D+01  0.286304D+01
      4   0.576488D+01 -0.116465D+02  0.393074D-01  0.291245D+01  0.263150D+01
      5  -0.573370D+01  0.105733D+01 -0.122637D+02  0.228863D+01  0.143196D+01
      6  -0.517827D+00 -0.480410D+00  0.292108D+01  0.187657D+01  0.156878D+01
                51            52            53            54            55 
      1   0.771839D+00 -0.101097D+02  0.207621D+01 -0.821348D+01  0.980689D+02
      2  -0.360245D+00  0.756220D+01 -0.117788D+00 -0.280837D+01 -0.591586D+02
      3  -0.411594D+00  0.254749D+01 -0.195843D+01  0.110218D+02 -0.389103D+02
      4   0.175839D+01  0.741089D+00 -0.296338D+01  0.129756D+01 -0.257289D+01
      5   0.477336D+01  0.123920D+01  0.408253D+00 -0.676963D+01  0.813726D+01
      6  -0.879876D+01 -0.635319D+00  0.238142D+01 -0.501319D+00  0.347367D+00
                56            57            58            59            60 
      1  -0.926202D+01  0.569747D+01 -0.964674D+01  0.837349D+01 -0.503123D+00
      2   0.692793D+01 -0.567102D+01  0.740505D+01 -0.129884D+01  0.723333D+00
      3   0.233409D+01 -0.264449D-01  0.224169D+01 -0.707465D+01 -0.220210D+00
      4   0.238143D+02 -0.454117D+00  0.183566D+02 -0.651636D+01  0.222312D+01
      5  -0.128425D+01  0.231289D+02 -0.990129D+00  0.194709D+01 -0.396754D+01
      6   0.463159D+00 -0.341131D+00  0.931093D+00  0.211449D+00  0.560387D+01
                61            62            63            64            65 
      1   0.864929D+01 -0.153609D+01  0.159089D+02  0.142025D+02 -0.102677D+02
      2  -0.778372D+01  0.669917D+00 -0.148102D+02 -0.598241D+01  0.189390D+02
      3  -0.865570D+00  0.866175D+00 -0.109879D+01 -0.822009D+01 -0.867130D+01
      4  -0.114941D+01  0.417306D+01 -0.375724D+00  0.152478D+02  0.175072D+02
      5   0.258801D+02 -0.212293D+01  0.107386D+02  0.131020D+01  0.328017D-01
      6   0.253652D+01  0.397323D+01  0.101625D+01  0.123805D+01 -0.378909D+00
                66            67            68            69            70 
      1   0.516620D+00 -0.626570D+01  0.314502D+01 -0.274510D+01  0.250208D+01
      2  -0.189411D+01  0.118106D+02  0.386666D+01  0.635180D+00 -0.106271D+01
      3   0.137749D+01 -0.554494D+01 -0.701168D+01  0.210992D+01 -0.143937D+01
      4   0.130011D+01  0.164911D+02  0.180890D+02  0.879105D+00  0.458592D+01
      5   0.742559D+01  0.408605D-01  0.104337D+01  0.319503D+01  0.613973D+01
      6   0.376704D+01 -0.908085D+00  0.249597D+01  0.687429D+01  0.362371D+01
                71            72            73            74            75 
      1  -0.220111D+01 -0.327127D+01 -0.520700D+01 -0.319387D+01 -0.199552D+01
      2   0.538770D+01 -0.147933D+01  0.586367D+01  0.110782D+01 -0.749146D+00
      3  -0.318659D+01  0.475059D+01 -0.656677D+00  0.208605D+01  0.274466D+01
      4   0.378638D+01  0.458272D+01  0.306844D+01  0.191026D+01  0.166908D+01
      5   0.334083D+01  0.146347D+01 -0.150432D+01  0.571335D+00  0.424443D+01
      6   0.710608D+01  0.234966D+01  0.159064D+01 -0.643259D+00  0.520250D+00
                76            77            78            79            80 
      1  -0.219728D+01 -0.191029D+02  0.178392D+01 -0.101306D+01 -0.110982D+01
      2  -0.233163D+01  0.323042D+02  0.119488D+01  0.926387D+00 -0.730755D+00
      3   0.452891D+01 -0.132013D+02 -0.297879D+01  0.866726D-01  0.184058D+01
      4   0.149780D+02 -0.233548D+02 -0.926351D+00  0.132915D+01 -0.410432D+00
      5   0.144741D+00 -0.793768D+00 -0.468964D+01  0.388310D+01 -0.306580D+01
      6  -0.181181D+01  0.781091D+00  0.103673D+02 -0.151918D+01  0.830426D+01
                81            82            83            84            85 
      1  -0.579673D+01  0.100573D+02  0.403245D+01  0.347645D+00 -0.250516D+01
      2   0.151471D+01 -0.255686D+01 -0.176210D+01 -0.561520D+00  0.266920D+01
      3   0.428202D+01 -0.750043D+01 -0.227034D+01  0.213876D+00 -0.164039D+00
      4  -0.322766D+01  0.200698D+02  0.204723D+02 -0.783207D+00  0.867167D+01
      5  -0.309934D+00  0.149962D+00 -0.787244D+00  0.685306D+01 -0.122226D+01
      6   0.601093D+00  0.289247D+00 -0.280766D+00  0.377278D+00 -0.158166D+01
                86            87            88            89            90 
      1  -0.249490D+02  0.407842D+00  0.157260D+00 -0.669028D+00 -0.842071D+01
      2   0.379119D+02 -0.344036D+00 -0.112777D+01  0.297790D+00  0.512301D+01
      3  -0.129628D+02 -0.638066D-01  0.970510D+00  0.371239D+00  0.329771D+01
      4   0.190795D+02 -0.138049D+01 -0.216004D+00  0.283178D+00  0.657288D+01
      5  -0.189929D+01  0.172126D+01  0.394358D+01  0.684254D+01 -0.385112D+00
      6  -0.218667D+01  0.141976D+02 -0.186117D+00  0.128668D+02 -0.720396D+00
                91            92            93            94            95 
      1  -0.165144D+01 -0.133033D+00 -0.310376D+01 -0.201443D+00 -0.301551D+01
      2  -0.258148D+01  0.321907D+00 -0.992863D+00 -0.654814D-01  0.365150D+00
      3   0.423292D+01 -0.188874D+00  0.409663D+01  0.266924D+00  0.265036D+01
      4  -0.935808D+00  0.188374D+01 -0.127397D+01  0.260286D+01  0.107146D+01
      5   0.239911D+00 -0.599797D+00  0.466413D+01 -0.186371D+00 -0.618916D+00
      6  -0.171967D+01  0.772290D+00 -0.170424D+01  0.295412D+00 -0.200246D+01
                96            97            98            99           100 
      1   0.171894D+01 -0.353158D+01  0.319281D+01 -0.185570D+02 -0.215906D+01
      2  -0.133740D+01 -0.815311D+00 -0.108785D+01 -0.142252D+02 -0.248168D+01
      3  -0.381540D+00  0.434689D+01 -0.210496D+01  0.327823D+02  0.464074D+01
      4  -0.120840D+01 -0.102311D+01 -0.254367D+01 -0.119579D+00  0.132152D+01
      5   0.497294D+00  0.385729D+01  0.198937D+00 -0.566462D+01  0.379351D+00
      6   0.608797D+01 -0.975664D+00  0.532843D+01 -0.974572D+01  0.145828D+01
               101           102           103           104           105 
      1   0.564513D+00 -0.327327D+01  0.634339D+00 -0.278431D+01 -0.108878D+01
      2  -0.392213D+00 -0.103629D+01 -0.101705D+00 -0.168930D+00  0.186668D+01
      3  -0.172301D+00  0.430956D+01 -0.532634D+00  0.295324D+01 -0.777908D+00
      4   0.223517D+01  0.116879D+01  0.226265D+01 -0.251659D+00 -0.116404D+01
      5   0.296003D+00  0.508175D+01 -0.117939D+00 -0.518555D+00 -0.185814D+00
      6   0.630172D+00  0.146870D+01  0.653279D+00  0.126685D+01  0.593340D+01
               106           107           108           109           110 
      1  -0.511191D+01 -0.202587D+01 -0.201685D+02 -0.122344D+02  0.388229D+01
      2  -0.891264D+00  0.226059D+01 -0.147401D+02  0.617936D+01 -0.460877D+01
      3   0.600317D+01 -0.234720D+00  0.349086D+02  0.605503D+01  0.726474D+00
      4   0.139655D+01 -0.223844D+01  0.950293D+00 -0.166142D+02 -0.126090D+02
      5   0.397618D+01  0.586954D-01 -0.563329D+01 -0.492343D+00  0.440295D+00
      6   0.125681D+01  0.476231D+01  0.860814D+01 -0.487166D+00  0.341654D+00
               111           112           113           114           115 
      1  -0.448749D+00  0.165966D+01 -0.556389D+01  0.329920D+00  0.792268D-01
      2  -0.139640D-01 -0.152672D+01  0.754605D+01 -0.315490D+00 -0.188659D-01
      3   0.462713D+00 -0.132935D+00 -0.198216D+01 -0.144301D-01 -0.603608D-01
      4   0.411299D+00  0.320097D+00  0.139880D+01  0.100703D+00 -0.350885D+00
      5  -0.554270D+01  0.309649D-01 -0.268164D+00  0.527882D+00  0.320621D+00
      6  -0.146136D+01  0.267913D+00 -0.438647D+00  0.148692D+01 -0.765551D-01
               116           117           118           119           120 
      1   0.673820D+00 -0.222844D+01  0.906405D+01  0.702170D+01  0.340173D-01
      2  -0.642686D+00  0.697573D+00 -0.391284D+01 -0.327487D+01  0.834982D-01
      3  -0.311341D-01  0.153087D+01 -0.515121D+01 -0.374683D+01 -0.117515D+00
      4   0.152503D+00  0.461698D+00  0.781205D+01  0.556937D+01  0.381754D-02
      5   0.786970D+00  0.216730D+00 -0.178842D+00  0.556115D-01  0.235711D+01
      6   0.251643D+01 -0.511306D+00  0.227604D-01  0.258006D-01  0.134840D+01
               121           122           123           124           125 
      1   0.208532D+02  0.429733D+01  0.566758D+00 -0.759126D+00  0.978173D-01
      2  -0.122715D+02 -0.154704D+01 -0.545153D+00  0.344900D+00 -0.235508D+00
      3  -0.858171D+01 -0.275028D+01 -0.216047D-01  0.414226D+00  0.137690D+00
      4   0.662366D+01  0.215536D+02 -0.915731D-01  0.407745D-01 -0.162027D+00
      5   0.507121D+00 -0.240114D+00  0.465508D+01  0.426530D+01  0.252629D+01
      6   0.565394D-01  0.392248D+00 -0.192702D+00  0.606660D+00  0.154113D+01
               126           127           128           129           130 
      1   0.165302D+01 -0.420332D+01  0.894418D+01 -0.662427D+00  0.704793D+01
      2  -0.187703D+01  0.427908D+01 -0.120350D+02  0.231724D+00 -0.661127D+01
      3   0.224013D+00 -0.757570D-01  0.309084D+01  0.430703D+00 -0.436652D+00
      4   0.263004D+01 -0.423399D+01 -0.113024D+01 -0.160866D+00  0.363465D+01
      5   0.217800D+00 -0.151980D+00  0.107035D+00 -0.106375D+01  0.395963D-01
      6   0.661245D-01 -0.480030D+00  0.939993D+00 -0.151745D+01  0.120648D+00
               131           132           133           134           135 
      1  -0.201800D+02  0.659060D+00 -0.483419D+00  0.183602D+01 -0.324315D+01
      2   0.301578D+02 -0.936283D+00  0.545228D+00 -0.210645D+01  0.293736D+01
      3  -0.997777D+01  0.277223D+00 -0.618089D-01  0.270430D+00  0.305792D+00
      4   0.709727D+01 -0.339905D+00 -0.648658D+00 -0.618442D+00  0.773625D+00
      5  -0.664355D+00  0.186686D+01  0.949849D+00  0.865624D+00  0.323574D+00
      6  -0.175710D+01  0.459012D+01 -0.249067D+00  0.522786D+01 -0.675400D+00
               136           137           138           139           140 
      1   0.153868D+02  0.310620D+01  0.179901D+01 -0.336375D+01  0.457619D+01
      2  -0.644268D+01 -0.782505D+01 -0.463841D+00  0.519521D+00 -0.262587D+01
      3  -0.894408D+01  0.471885D+01 -0.133517D+01  0.284423D+01 -0.195032D+01
      4  -0.165821D+02  0.135520D+02 -0.175746D+01  0.445480D+01 -0.745759D+00
      5   0.173425D+01 -0.204160D+00  0.367065D+01 -0.635011D+00  0.692515D+00
      6  -0.160747D+01  0.137382D+00 -0.490591D+01  0.299586D+00 -0.371479D+00
               141           142           143           144 
      1  -0.140310D+00  0.177328D+01  0.158744D+01  0.571792D+00
      2   0.178508D+00 -0.121937D+01 -0.190275D+01 -0.139890D+01
      3  -0.381975D-01 -0.553908D+00  0.315318D+00  0.827110D+00
      4   0.560474D+00 -0.326054D+01  0.192469D+01 -0.331897D+01
      5  -0.154995D+01  0.409694D+01 -0.246422D+01  0.161418D+01
      6   0.156185D+00 -0.209188D+01  0.255558D+01 -0.190946D+01
 Leave Link  716 at Wed Jul 28 19:58:38 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.875972D+02  0.500681D+00  0.247640D+01
      2   0.500681D+00  0.783548D+02 -0.958035D+00
      3   0.247640D+01 -0.958035D+00  0.528427D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.202301D+01 -0.106084D+01 -0.662480D+01
      2  -0.285163D+01 -0.106957D+01 -0.366497D+01
      3  -0.120208D+02 -0.939012D+00 -0.462678D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.104525D+02  0.162334D+02 -0.864346D+01
      2   0.410781D+01 -0.919493D+01  0.566049D+01
      3   0.634466D+01 -0.703848D+01  0.298297D+01
      4   0.169983D+02 -0.392795D+01  0.311635D-01
      5  -0.803129D+01  0.739857D+00 -0.411998D+01
      6  -0.510063D+00  0.132050D+01  0.157386D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.188878D+01 -0.672603D+00 -0.145693D+00  0.258310D+01  0.189865D+01
      2  -0.672603D+00  0.224763D+01  0.137033D+00  0.189865D+01  0.514721D+01
      3  -0.145693D+00  0.137033D+00  0.390884D+00 -0.351027D-01 -0.393574D+00
                 6             7             8             9            10 
      1  -0.351027D-01 -0.728342D+00  0.474626D+00  0.394423D+00 -0.282932D+01
      2  -0.393574D+00  0.474626D+00 -0.451229D+00  0.256080D+00 -0.226818D+01
      3   0.104570D+00  0.394423D+00  0.256080D+00 -0.559170D+00  0.182039D+00
                11            12            13            14            15 
      1  -0.226818D+01  0.182039D+00 -0.558380D+01 -0.780805D+00  0.789211D-01
      2  -0.115643D+01  0.120404D+00 -0.780805D+00 -0.115091D+02  0.390071D+00
      3   0.120404D+00 -0.522535D+00  0.789211D-01  0.390071D+00 -0.182586D+01
                16            17            18            19            20 
      1   0.313002D+00  0.967640D-01 -0.457925D+00  0.913774D+01 -0.224331D+00
      2   0.967640D-01  0.405459D+00 -0.269746D+01 -0.224331D+00  0.548527D+00
      3  -0.457925D+00 -0.269746D+01  0.475549D+00  0.262314D+00  0.613523D-01
                21            22            23            24            25 
      1   0.262314D+00 -0.255006D+01  0.125669D+01  0.285829D-01  0.103077D+01
      2   0.613523D-01  0.125669D+01 -0.344308D+01  0.108770D+00 -0.223787D+00
      3   0.128009D+01  0.285829D-01  0.108770D+00 -0.180591D+00  0.239944D+01
                26            27            28            29            30 
      1  -0.223787D+00  0.239944D+01  0.384640D+01 -0.824912D+00 -0.663456D+00
      2   0.154835D+00  0.198918D+00 -0.824912D+00 -0.155208D+01 -0.437989D+00
      3   0.198918D+00  0.439438D+00 -0.663456D+00 -0.437989D+00  0.144422D+01
                31            32            33            34            35 
      1  -0.116428D+01 -0.233133D+01  0.696380D-01 -0.155448D+01 -0.917115D+00
      2  -0.233133D+01 -0.220296D+01 -0.306396D+00 -0.917115D+00  0.712647D-01
      3   0.696380D-01 -0.306396D+00  0.110466D-01  0.167554D+01 -0.487601D+00
                36            37            38            39            40 
      1   0.167554D+01 -0.410529D+01  0.122503D+01  0.402585D+00 -0.759529D+00
      2  -0.487601D+00  0.122503D+01  0.191296D+01  0.393611D-01  0.237105D+01
      3   0.630784D+01  0.402585D+00  0.393611D-01 -0.139114D+01  0.223488D+00
                41            42            43            44            45 
      1   0.237105D+01  0.223488D+00  0.942764D+00 -0.706820D+00 -0.188453D+01
      2  -0.963416D+00  0.406732D+00 -0.706820D+00  0.357562D+00  0.608218D+00
      3   0.406732D+00  0.606792D+00 -0.188453D+01  0.608218D+00 -0.654775D+01
                46            47            48            49            50 
      1   0.648284D+01 -0.267758D+01  0.107032D+01 -0.405992D+01 -0.139766D+01
      2  -0.267758D+01  0.947392D+00 -0.798230D-01 -0.139766D+01  0.193301D+00
      3   0.107032D+01 -0.798230D-01  0.516634D+00 -0.252093D+00 -0.263068D+00
                51            52            53            54            55 
      1  -0.252093D+00  0.159213D+01 -0.242855D-01  0.362294D+00 -0.148893D+02
      2  -0.263068D+00 -0.242855D-01  0.291989D+00 -0.556419D+00  0.176228D+01
      3  -0.757154D+00  0.362294D+00 -0.556419D+00  0.835438D+00 -0.135621D+01
                56            57            58            59            60 
      1   0.176228D+01 -0.135621D+01  0.186224D+01 -0.233215D+01  0.133697D+00
      2  -0.380562D+01  0.179923D+00 -0.233215D+01  0.203044D+01 -0.365289D+00
      3   0.179923D+00 -0.217864D+01  0.133697D+00 -0.365289D+00  0.821417D+00
                61            62            63            64            65 
      1  -0.196911D+01  0.884289D-01 -0.352758D+01  0.525742D+01  0.141522D+01
      2   0.884289D-01 -0.815930D+00  0.524032D+00  0.141522D+01  0.458822D+01
      3  -0.352758D+01  0.524032D+00 -0.165017D+01  0.503399D+00  0.203792D-02
                66            67            68            69            70 
      1   0.503399D+00  0.587084D+00  0.365347D+01 -0.168967D+00  0.113415D+01
      2   0.203792D-02  0.365347D+01  0.178590D+01  0.422337D+00  0.415241D+00
      3   0.248598D+00 -0.168967D+00  0.422337D+00 -0.280902D+00  0.627195D+00
                71            72            73            74            75 
      1   0.415241D+00  0.627195D+00  0.252942D+01  0.165927D+01  0.180587D+00
      2   0.122001D+01  0.108568D+01  0.165927D+01  0.150821D+01 -0.252293D+00
      3   0.108568D+01  0.202975D+00  0.180587D+00 -0.252293D+00  0.852813D+00
                76            77            78            79            80 
      1   0.234888D+01 -0.155174D+01 -0.403149D+00  0.593474D+00  0.727542D-01
      2  -0.155174D+01  0.715343D+01  0.985234D-01  0.727542D-01  0.283466D+00
      3  -0.403149D+00  0.985234D-01  0.378362D+00 -0.227522D+00  0.122042D+01
                81            82            83            84            85 
      1  -0.227522D+00 -0.791381D+01 -0.152487D+01  0.384226D-01  0.582729D+00
      2   0.122042D+01 -0.152487D+01 -0.136964D+01  0.138875D+00 -0.329056D+00
      3   0.372189D+00  0.384226D-01  0.138875D+00 -0.152109D+00  0.240015D+00
                86            87            88            89            90 
      1  -0.329056D+00  0.240015D+00 -0.205206D+00  0.177152D+00  0.159220D+00
      2  -0.740217D+01  0.112556D+00  0.177152D+00 -0.181444D+00 -0.201714D+01
      3   0.112556D+00 -0.114854D+01  0.159220D+00 -0.201714D+01  0.123836D+00
                91            92            93            94            95 
      1  -0.154043D+01  0.123800D+00 -0.102828D+01  0.178431D+00  0.420091D+00
      2   0.123800D+00  0.114903D-01  0.588653D-01  0.420091D+00  0.629839D+00
      3  -0.102828D+01  0.588653D-01 -0.127256D+01 -0.731767D-01 -0.110445D+01
                96            97            98            99           100 
      1  -0.731767D-01 -0.147894D+01  0.277448D+00 -0.604218D+00  0.164061D+01
      2  -0.110445D+01  0.277448D+00 -0.183616D+01  0.606039D+00 -0.220018D+00
      3   0.555694D+00 -0.604218D+00  0.606039D+00 -0.777483D+01  0.111023D+01
               101           102           103           104           105 
      1  -0.220018D+00  0.111023D+01 -0.180640D+00 -0.328356D+00 -0.595481D-02
      2  -0.114761D+00 -0.342956D-01 -0.328356D+00  0.277637D+00  0.108154D+01
      3  -0.342956D-01  0.131641D+01 -0.595481D-02  0.108154D+01  0.243552D+00
               106           107           108           109           110 
      1   0.173369D+01  0.210013D+00  0.970720D+00  0.910658D+01 -0.416755D+00
      2   0.210013D+00  0.156054D+01  0.964121D-01 -0.416755D+00  0.138610D+01
      3   0.970720D+00  0.964121D-01  0.810633D+01 -0.738140D-01 -0.751836D-01
               111           112           113           114           115 
      1  -0.738140D-01 -0.239325D+00  0.300900D+00 -0.722059D-01  0.275997D+00
      2  -0.751836D-01  0.300900D+00 -0.161571D+01  0.930165D-01 -0.922523D-01
      3   0.384942D+00 -0.722059D-01  0.930165D-01 -0.500736D+00 -0.521288D-01
               116           117           118           119           120 
      1  -0.922523D-01 -0.521288D-01  0.187457D+01  0.134847D+01  0.122258D-01
      2   0.227309D+00 -0.528804D+00  0.134847D+01  0.681099D+00  0.377328D-01
      3  -0.528804D+00  0.132003D+00  0.122258D-01  0.377328D-01  0.682537D+00
               121           122           123           124           125 
      1   0.388089D+01  0.922795D+00  0.110875D+00 -0.146625D+00  0.373074D-01
      2   0.922795D+00  0.435825D+01 -0.309691D-01  0.373074D-01 -0.444218D-01
      3   0.110875D+00 -0.309691D-01  0.634660D+00  0.657423D+00  0.348959D+00
               126           127           128           129           130 
      1   0.657423D+00 -0.180309D+01  0.719170D+00 -0.292292D-01  0.195982D+01
      2   0.348959D+00  0.719170D+00 -0.240496D+01 -0.111093D-01 -0.874378D+00
      3   0.884292D-01 -0.292292D-01 -0.111093D-01 -0.314889D+00  0.246232D-01
               131           132           133           134           135 
      1  -0.874378D+00  0.246232D-01 -0.352887D+00  0.547059D-01  0.926562D-01
      2   0.596518D+01 -0.145521D+00  0.547059D-01 -0.514256D+00  0.822823D+00
      3  -0.145521D+00  0.112686D+01  0.926562D-01  0.822823D+00 -0.755277D-01
               136           137           138           139           140 
      1  -0.490552D+01  0.576008D+00 -0.465446D+00  0.554365D+00 -0.898166D+00
      2   0.576008D+00 -0.342814D+01  0.115109D+00 -0.898166D+00 -0.404734D+00
      3  -0.465446D+00  0.115109D+00 -0.128526D+01  0.100810D+00 -0.104283D+00
               141           142           143           144 
      1   0.100810D+00 -0.118039D+01  0.598183D-01 -0.585000D+00
      2  -0.104283D+00  0.598183D-01 -0.728993D+00  0.519845D+00
      3   0.210831D+00 -0.585000D+00  0.519845D+00 -0.476586D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.555391D-01 -0.594724D+00  0.116211D+01 -0.272940D+01  0.111891D+01
      2   0.117829D+01 -0.151376D+01 -0.531630D+01 -0.258088D+01 -0.324708D+00
      3  -0.181047D+00 -0.450062D+01  0.741317D+00 -0.825895D+01 -0.525184D+01
                 6             7             8             9            10 
      1   0.774165D+01 -0.873952D+00  0.104824D+02 -0.193974D+01  0.472594D+00
      2   0.190232D+00 -0.138373D+02  0.301864D+01 -0.275926D+01 -0.160546D+00
      3   0.138458D+01  0.279618D+01  0.161599D+01 -0.178545D+01  0.798180D+01
                11            12            13            14            15 
      1   0.248638D+00 -0.710933D+00  0.408771D+00  0.135474D+01 -0.101098D+02
      2   0.226019D+00  0.329931D+01  0.252490D+00  0.541653D+00 -0.163936D+01
      3  -0.754851D+00 -0.610185D+00  0.189257D+02  0.168589D+02 -0.888419D+00
                16            17            18            19            20 
      1   0.157726D+01 -0.551872D+00  0.123554D+01  0.404902D+00 -0.280915D-01
      2  -0.280910D+01 -0.517025D+01  0.109598D+01  0.126921D+01  0.866878D-01
      3  -0.173312D+01 -0.440271D+00  0.511158D+01 -0.239061D+01 -0.844877D+01
                21            22            23            24            25 
      1  -0.285895D+00  0.461372D+00 -0.618949D+00 -0.244854D+01  0.168927D+01
      2   0.928719D+01  0.765188D+00  0.235340D+00 -0.159495D+01  0.514550D+01
      3  -0.158859D+00  0.252826D+00  0.143643D+02 -0.147247D+00 -0.874556D+00
                26            27            28            29            30 
      1   0.132707D+01  0.373741D+00  0.136310D+01  0.652593D+00  0.163641D+01
      2  -0.182132D+01  0.166021D+01 -0.179778D+01  0.138178D+00  0.234031D+01
      3  -0.129591D+01 -0.138473D+01 -0.106557D+01 -0.211710D+01 -0.104857D+00
                31            32            33            34            35 
      1   0.271987D+01  0.134466D+01 -0.161809D+01  0.134409D+00  0.169944D+01
      2   0.143151D+01 -0.196149D+00 -0.239514D+01 -0.331070D+01 -0.829926D+00
      3   0.599271D+01  0.101668D+01 -0.464832D+00  0.569340D-01 -0.991477D+00
                36            37            38            39            40 
      1  -0.418534D+00 -0.139576D+01  0.168382D+01 -0.157893D+01  0.991837D+00
      2   0.275012D+01  0.268783D+00 -0.354577D+00  0.264379D+01 -0.119923D+01
      3   0.977296D+00  0.154880D+01 -0.142320D+01  0.404075D+00  0.686341D+01
                41            42            43            44            45 
      1  -0.299118D+00 -0.147725D+01 -0.111770D+00  0.211426D+01  0.758679D+00
      2  -0.396055D+00  0.207656D+01 -0.346283D+01 -0.717408D+00  0.296678D+01
      3   0.180214D+01  0.295656D+00  0.194962D+00 -0.528145D+00 -0.417244D+00
                46            47            48            49            50 
      1   0.489749D+00 -0.463081D+01 -0.724100D+00 -0.287151D+01 -0.121000D+01
      2   0.277767D+01  0.202566D+01 -0.821692D+01  0.194700D+01  0.780031D+00
      3  -0.589976D+01  0.693311D+01 -0.111861D+01  0.255559D+01 -0.422821D+01
                51            52            53            54            55 
      1   0.587392D+01  0.234895D+01  0.130469D+02  0.108153D+01 -0.845770D+00
      2   0.178063D+01 -0.130831D+02 -0.257437D+01 -0.517739D+01  0.116609D+01
      3   0.132536D+01 -0.115498D+01  0.515694D+01 -0.725723D+00  0.971029D+01
                56            57            58            59            60 
      1   0.211534D+01  0.869772D-01  0.697924D+00 -0.481043D+00 -0.335381D+01
      2  -0.705384D+00  0.134284D+02 -0.692131D+00  0.901972D+00 -0.161551D+01
      3  -0.201495D+02  0.108771D+01 -0.267148D+01  0.931673D+01 -0.104788D+01
                61            62            63            64            65 
      1  -0.266335D+01  0.147519D+01 -0.102017D+01 -0.726456D+00 -0.252723D+00
      2   0.513010D+01  0.117038D+01  0.476431D+01  0.825542D+00  0.495382D+00
      3   0.850813D+00 -0.435182D+01  0.302104D+01  0.117704D+02 -0.111433D+02
                66            67            68            69            70 
      1  -0.264059D+01 -0.707548D+00 -0.241916D+01 -0.393399D+01 -0.114860D+01
      2   0.399399D+01 -0.685059D+00  0.308938D+00  0.175358D+01 -0.165557D+01
      3   0.456911D+00 -0.378555D+01  0.476163D+01 -0.339837D+00  0.256649D+01
                71            72            73            74            75 
      1   0.302962D+01 -0.176236D+01 -0.137330D+01 -0.762477D+00 -0.365565D+00
      2   0.127679D+01  0.993649D+00  0.292592D+00 -0.565226D+00  0.185556D+01
      3  -0.147005D+01 -0.346754D+00  0.132179D+02  0.773209D+01  0.122475D+01
                76            77            78            79            80 
      1  -0.561345D+00  0.173696D+01 -0.629596D+01 -0.489771D-01  0.111028D+01
      2   0.619311D+00  0.977936D-01 -0.225598D+01 -0.298146D+01 -0.770581D-01
      3   0.941278D+01  0.851376D+01 -0.145078D-02  0.216334D+01  0.189283D+01
                81            82            83            84            85 
      1   0.479414D+00  0.349855D+00  0.818109D+00 -0.785555D+00 -0.401840D+00
      2  -0.189487D+00  0.401274D+00 -0.344907D+00  0.369612D+01 -0.315473D+00
      3   0.120002D+01  0.219647D+02 -0.563284D+01 -0.203731D-01  0.599069D+01
                86            87            88            89            90 
      1  -0.788996D+00 -0.771310D+01 -0.184298D+01 -0.235523D+01 -0.296323D+00
      2  -0.223841D+00  0.342117D+00 -0.115525D+01  0.393391D+01  0.430014D+00
      3  -0.819114D+01  0.533417D-01  0.114987D+01 -0.142569D+01 -0.337950D+01
                91            92            93            94            95 
      1   0.152292D-01  0.309504D+00  0.646143D+00  0.380414D+00 -0.637809D+00
      2  -0.196922D+01  0.125168D+00 -0.153717D+00  0.551710D-01 -0.750261D+00
      3  -0.101483D+01 -0.448449D+00 -0.490430D+00  0.893571D+00 -0.406349D+00
                96            97            98            99           100 
      1  -0.109498D-01  0.198002D+00  0.306557D+01  0.247318D+01 -0.218704D+00
      2   0.158397D+00 -0.345611D+01  0.366524D+00 -0.432346D+01 -0.200707D+01
      3   0.609747D+00 -0.101552D+01  0.133641D+01 -0.925255D+00  0.625161D+00
               101           102           103           104           105 
      1   0.391295D+00 -0.633632D+00  0.161074D+00 -0.194974D+00  0.530073D-01
      2  -0.173922D+00 -0.151841D+00  0.109070D+00 -0.542261D+00 -0.115563D+00
      3  -0.869739D+00  0.505505D+00  0.699304D+00 -0.222355D+00  0.679471D+00
               106           107           108           109           110 
      1  -0.378226D+00  0.297415D+01 -0.288930D+01 -0.649408D+00  0.611690D-02
      2  -0.396429D+01  0.924560D-01 -0.451325D+01 -0.892416D+00  0.124472D+00
      3   0.669982D+00  0.785918D+00  0.326244D+00 -0.280722D+02  0.762168D+01
               111           112           113           114           115 
      1   0.111903D+01 -0.644193D-01  0.658942D-01 -0.504691D+00  0.136365D+00
      2  -0.297237D+01  0.125615D+00 -0.286855D+00  0.336922D+00 -0.311203D+01
      3   0.228804D+00  0.376080D+01 -0.188532D+01  0.203088D+00 -0.100746D+01
               116           117           118           119           120 
      1   0.481690D+00  0.187950D+00  0.253601D+00 -0.172277D+00 -0.890034D+00
      2   0.507129D+00  0.360354D-01  0.170781D-01 -0.144377D+00  0.100606D+01
      3   0.424182D+00 -0.166242D+00 -0.456235D+01 -0.106571D+01 -0.104840D+00
               121           122           123           124           125 
      1  -0.264654D-01  0.648243D+00  0.123086D+00  0.227898D+00  0.136798D+01
      2   0.804014D-01  0.120334D+00  0.287873D+01  0.326661D+00  0.157171D+01
      3  -0.151758D+01 -0.200052D+02 -0.877222D-01  0.675435D-02  0.418105D+00
               126           127           128           129           130 
      1   0.481764D-01 -0.128483D+00 -0.344838D-01  0.111438D+01 -0.199976D+00
      2   0.366205D-01 -0.453175D+00  0.141617D+00 -0.681105D+00  0.269640D+00
      3  -0.931522D+00 -0.968122D+01  0.558931D+01  0.457493D-01  0.848456D+01
               131           132           133           134           135 
      1   0.242458D+00 -0.270942D+01 -0.170855D+00 -0.791622D+00  0.161721D+00
      2  -0.284362D+00  0.891709D+00 -0.138779D+01  0.730910D+00  0.129447D+00
      3  -0.114473D+02  0.193182D+00 -0.130364D+01  0.750739D+00 -0.617929D+00
               136           137           138           139           140 
      1   0.193332D+01  0.250166D+00  0.285018D+01  0.503109D+00  0.617258D+00
      2   0.321815D+00 -0.401029D-01  0.236279D+01 -0.182612D+00  0.184332D-01
      3  -0.142020D+02 -0.104992D+02 -0.160768D+01 -0.379919D+01 -0.474614D+01
               141           142           143           144 
      1  -0.373596D-01  0.117700D+01  0.701239D+00  0.104752D+01
      2  -0.792358D+00 -0.185859D+00 -0.172839D+01  0.861445D+00
      3  -0.528807D+00 -0.336605D+01 -0.187774D+01  0.441601D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.207994D+02  0.413176D+01 -0.122133D+00  0.215112D+01  0.242308D+02
      2   0.119315D+02 -0.624265D+01  0.128856D+01 -0.221364D+00 -0.302050D+02
      3   0.886791D+01  0.211090D+01 -0.116643D+01 -0.192976D+01  0.597420D+01
      4  -0.382488D+01  0.132159D+00  0.257133D+00 -0.387425D+01  0.812368D+01
      5  -0.948381D+00 -0.404372D+00 -0.850202D+01 -0.106814D+00  0.194571D+00
      6  -0.274920D+00  0.401271D+00 -0.342179D+01  0.877794D+00 -0.101062D+01
                 6             7             8             9            10 
      1  -0.110335D+01 -0.409361D+01 -0.250365D+01 -0.390759D+01 -0.387325D+01
      2  -0.238798D+00  0.301264D+01  0.254464D+01 -0.674615D+01  0.678700D+01
      3   0.134215D+01  0.108097D+01 -0.409923D-01  0.106537D+02 -0.291375D+01
      4  -0.352763D+00  0.186252D+01 -0.145085D+01  0.337267D+00 -0.250767D+01
      5  -0.217667D+01  0.366180D+01  0.173456D+01 -0.303505D+01  0.363553D+00
      6  -0.918819D+01 -0.539886D+00  0.220941D+01  0.184691D+01 -0.233682D+00
                11            12            13            14            15 
      1  -0.943498D+01  0.234067D+00 -0.148294D+02 -0.368404D+02  0.192058D+00
      2   0.817678D+01 -0.276965D+00  0.941189D+01  0.528442D+02 -0.905282D-01
      3   0.125821D+01  0.428976D-01  0.541749D+01 -0.160038D+02 -0.101529D+00
      4   0.152396D+02 -0.596648D+00  0.140503D+02 -0.254601D+02  0.438395D+00
      5  -0.106166D+00  0.520038D+01  0.243902D-01 -0.133115D+00 -0.311439D+01
      6  -0.131962D-01  0.155732D+01 -0.897917D+00  0.101879D+01  0.154536D+02
                16            17            18            19            20 
      1   0.643346D+00  0.151582D+01 -0.101674D+02  0.654289D+02 -0.178284D+01
      2  -0.982565D+00 -0.124852D+01  0.764786D+01 -0.393446D+02  0.143816D+01
      3   0.339219D+00 -0.267300D+00  0.251950D+01 -0.260843D+02  0.344683D+00
      4  -0.587447D+00  0.296753D+00 -0.722234D+01 -0.348961D+01  0.985132D+01
      5   0.308638D+01 -0.842363D+01  0.112501D+01  0.109871D+01  0.501054D+00
      6   0.969102D+00  0.142582D+02 -0.147528D+01  0.560009D+00 -0.200090D+00
                21            22            23            24            25 
      1   0.115572D+01 -0.104828D+02  0.348151D+01  0.484807D-01  0.371249D+01
      2  -0.776858D+00  0.514892D+01  0.104336D+00  0.208931D+00 -0.296627D+01
      3  -0.378860D+00  0.533388D+01 -0.358584D+01 -0.257411D+00 -0.746224D+00
      4   0.379597D+00  0.125233D+02 -0.165986D+02  0.797052D+00  0.644975D-01
      5   0.177821D+02  0.299601D-01  0.594602D+00 -0.147233D+01  0.195612D+02
      6   0.214073D+00  0.369819D+00 -0.264401D+00  0.439843D+01 -0.208634D+01
                26            27            28            29            30 
      1   0.721320D+00  0.106667D+02 -0.396949D+00  0.350099D+01  0.211385D+01
      2   0.133956D+00 -0.108624D+02  0.672536D+00 -0.850514D+01  0.219975D+01
      3  -0.855276D+00  0.195695D+00 -0.275587D+00  0.500414D+01 -0.431360D+01
      4   0.731696D+00 -0.189100D+01 -0.386243D+01 -0.444778D+01 -0.124101D+01
      5   0.519906D+00  0.314412D+01 -0.200585D+01 -0.346668D-01 -0.392000D+00
      6   0.347844D+01 -0.552415D+00  0.104463D+01 -0.161683D+01 -0.741404D+00
                31            32            33            34            35 
      1  -0.281661D+01 -0.158442D+01  0.124792D+01  0.889952D+00 -0.231471D+01
      2  -0.213470D+01 -0.248834D+01 -0.451249D+00  0.190623D+01 -0.405237D+01
      3   0.495131D+01  0.407276D+01 -0.796667D+00 -0.279618D+01  0.636709D+01
      4  -0.874992D+01 -0.109146D+02  0.420453D+00 -0.556280D+01 -0.472296D-01
      5  -0.835057D-01 -0.503090D+00 -0.285505D+01  0.155926D+01  0.123434D+01
      6   0.216949D+00 -0.623983D-01 -0.234300D+01  0.308408D+01 -0.112300D-01
                36            37            38            39            40 
      1   0.959596D+01  0.187834D+01 -0.465384D+01  0.339619D+01  0.328241D+01
      2   0.757819D+01 -0.154040D+01  0.715560D+01  0.149247D+01  0.422227D+00
      3  -0.171742D+02 -0.337940D+00 -0.250176D+01 -0.488866D+01 -0.370464D+01
      4   0.207357D+01  0.183979D+01 -0.397901D+01  0.801287D-01 -0.766071D+01
      5   0.269157D+01  0.786165D-01 -0.598838D+00  0.198674D+00  0.235766D+00
      6   0.800018D+01 -0.123021D+01 -0.982597D-01  0.191914D+01  0.171027D+01
                41            42            43            44            45 
      1  -0.751721D+00 -0.150737D+01  0.504454D+01  0.129772D+01  0.103494D+02
      2  -0.499875D+01 -0.146571D+01  0.919336D+00  0.146878D+01  0.822049D+01
      3   0.575047D+01  0.297308D+01 -0.596388D+01 -0.276650D+01 -0.185699D+02
      4   0.529774D+01  0.762231D+00  0.277836D+01 -0.913791D+00 -0.352439D+01
      5  -0.264747D+00  0.277462D+01  0.117663D+01 -0.193969D+01  0.273893D+01
      6  -0.599450D+00 -0.178434D+01 -0.321619D+01  0.185642D+01 -0.735509D+01
                46            47            48            49            50 
      1  -0.467656D+02  0.421177D+01 -0.238686D+01  0.163464D+02  0.144313D+02
      2   0.298903D+02  0.244841D+00  0.548964D+01 -0.114555D+02 -0.172944D+02
      3   0.168753D+02 -0.445661D+01 -0.310277D+01 -0.489092D+01  0.286304D+01
      4   0.576488D+01 -0.116465D+02  0.393074D-01  0.291245D+01  0.263150D+01
      5  -0.573370D+01  0.105733D+01 -0.122637D+02  0.228863D+01  0.143196D+01
      6  -0.517827D+00 -0.480410D+00  0.292108D+01  0.187657D+01  0.156878D+01
                51            52            53            54            55 
      1   0.771839D+00 -0.101097D+02  0.207621D+01 -0.821348D+01  0.980689D+02
      2  -0.360245D+00  0.756220D+01 -0.117788D+00 -0.280837D+01 -0.591586D+02
      3  -0.411594D+00  0.254749D+01 -0.195843D+01  0.110218D+02 -0.389103D+02
      4   0.175839D+01  0.741089D+00 -0.296338D+01  0.129756D+01 -0.257289D+01
      5   0.477336D+01  0.123920D+01  0.408253D+00 -0.676963D+01  0.813726D+01
      6  -0.879876D+01 -0.635319D+00  0.238142D+01 -0.501319D+00  0.347367D+00
                56            57            58            59            60 
      1  -0.926202D+01  0.569747D+01 -0.964674D+01  0.837349D+01 -0.503123D+00
      2   0.692793D+01 -0.567102D+01  0.740505D+01 -0.129884D+01  0.723333D+00
      3   0.233409D+01 -0.264449D-01  0.224169D+01 -0.707465D+01 -0.220210D+00
      4   0.238143D+02 -0.454117D+00  0.183566D+02 -0.651636D+01  0.222312D+01
      5  -0.128425D+01  0.231289D+02 -0.990129D+00  0.194709D+01 -0.396754D+01
      6   0.463159D+00 -0.341131D+00  0.931093D+00  0.211449D+00  0.560387D+01
                61            62            63            64            65 
      1   0.864929D+01 -0.153609D+01  0.159089D+02  0.142025D+02 -0.102677D+02
      2  -0.778372D+01  0.669917D+00 -0.148102D+02 -0.598241D+01  0.189390D+02
      3  -0.865570D+00  0.866175D+00 -0.109879D+01 -0.822009D+01 -0.867130D+01
      4  -0.114941D+01  0.417306D+01 -0.375724D+00  0.152478D+02  0.175072D+02
      5   0.258801D+02 -0.212293D+01  0.107386D+02  0.131020D+01  0.328017D-01
      6   0.253652D+01  0.397323D+01  0.101625D+01  0.123805D+01 -0.378909D+00
                66            67            68            69            70 
      1   0.516620D+00 -0.626570D+01  0.314502D+01 -0.274510D+01  0.250208D+01
      2  -0.189411D+01  0.118106D+02  0.386666D+01  0.635180D+00 -0.106271D+01
      3   0.137749D+01 -0.554494D+01 -0.701168D+01  0.210992D+01 -0.143937D+01
      4   0.130011D+01  0.164911D+02  0.180890D+02  0.879105D+00  0.458592D+01
      5   0.742559D+01  0.408605D-01  0.104337D+01  0.319503D+01  0.613973D+01
      6   0.376704D+01 -0.908085D+00  0.249597D+01  0.687429D+01  0.362371D+01
                71            72            73            74            75 
      1  -0.220111D+01 -0.327127D+01 -0.520700D+01 -0.319387D+01 -0.199552D+01
      2   0.538770D+01 -0.147933D+01  0.586367D+01  0.110782D+01 -0.749146D+00
      3  -0.318659D+01  0.475059D+01 -0.656677D+00  0.208605D+01  0.274466D+01
      4   0.378638D+01  0.458272D+01  0.306844D+01  0.191026D+01  0.166908D+01
      5   0.334083D+01  0.146347D+01 -0.150432D+01  0.571335D+00  0.424443D+01
      6   0.710608D+01  0.234966D+01  0.159064D+01 -0.643259D+00  0.520250D+00
                76            77            78            79            80 
      1  -0.219728D+01 -0.191029D+02  0.178392D+01 -0.101306D+01 -0.110982D+01
      2  -0.233163D+01  0.323042D+02  0.119488D+01  0.926387D+00 -0.730755D+00
      3   0.452891D+01 -0.132013D+02 -0.297879D+01  0.866726D-01  0.184058D+01
      4   0.149780D+02 -0.233548D+02 -0.926351D+00  0.132915D+01 -0.410432D+00
      5   0.144741D+00 -0.793768D+00 -0.468964D+01  0.388310D+01 -0.306580D+01
      6  -0.181181D+01  0.781091D+00  0.103673D+02 -0.151918D+01  0.830426D+01
                81            82            83            84            85 
      1  -0.579673D+01  0.100573D+02  0.403245D+01  0.347645D+00 -0.250516D+01
      2   0.151471D+01 -0.255686D+01 -0.176210D+01 -0.561520D+00  0.266920D+01
      3   0.428202D+01 -0.750043D+01 -0.227034D+01  0.213876D+00 -0.164039D+00
      4  -0.322766D+01  0.200698D+02  0.204723D+02 -0.783207D+00  0.867167D+01
      5  -0.309934D+00  0.149962D+00 -0.787244D+00  0.685306D+01 -0.122226D+01
      6   0.601093D+00  0.289247D+00 -0.280766D+00  0.377278D+00 -0.158166D+01
                86            87            88            89            90 
      1  -0.249490D+02  0.407842D+00  0.157260D+00 -0.669028D+00 -0.842071D+01
      2   0.379119D+02 -0.344036D+00 -0.112777D+01  0.297790D+00  0.512301D+01
      3  -0.129628D+02 -0.638066D-01  0.970510D+00  0.371239D+00  0.329771D+01
      4   0.190795D+02 -0.138049D+01 -0.216004D+00  0.283178D+00  0.657288D+01
      5  -0.189929D+01  0.172126D+01  0.394358D+01  0.684254D+01 -0.385112D+00
      6  -0.218667D+01  0.141976D+02 -0.186117D+00  0.128668D+02 -0.720396D+00
                91            92            93            94            95 
      1  -0.165144D+01 -0.133033D+00 -0.310376D+01 -0.201443D+00 -0.301551D+01
      2  -0.258148D+01  0.321907D+00 -0.992863D+00 -0.654814D-01  0.365150D+00
      3   0.423292D+01 -0.188874D+00  0.409663D+01  0.266924D+00  0.265036D+01
      4  -0.935808D+00  0.188374D+01 -0.127397D+01  0.260286D+01  0.107146D+01
      5   0.239911D+00 -0.599797D+00  0.466413D+01 -0.186371D+00 -0.618916D+00
      6  -0.171967D+01  0.772290D+00 -0.170424D+01  0.295412D+00 -0.200246D+01
                96            97            98            99           100 
      1   0.171894D+01 -0.353158D+01  0.319281D+01 -0.185570D+02 -0.215906D+01
      2  -0.133740D+01 -0.815311D+00 -0.108785D+01 -0.142252D+02 -0.248168D+01
      3  -0.381540D+00  0.434689D+01 -0.210496D+01  0.327823D+02  0.464074D+01
      4  -0.120840D+01 -0.102311D+01 -0.254367D+01 -0.119579D+00  0.132152D+01
      5   0.497294D+00  0.385729D+01  0.198937D+00 -0.566462D+01  0.379351D+00
      6   0.608797D+01 -0.975664D+00  0.532843D+01 -0.974572D+01  0.145828D+01
               101           102           103           104           105 
      1   0.564513D+00 -0.327327D+01  0.634339D+00 -0.278431D+01 -0.108878D+01
      2  -0.392213D+00 -0.103629D+01 -0.101705D+00 -0.168930D+00  0.186668D+01
      3  -0.172301D+00  0.430956D+01 -0.532634D+00  0.295324D+01 -0.777908D+00
      4   0.223517D+01  0.116879D+01  0.226265D+01 -0.251659D+00 -0.116404D+01
      5   0.296003D+00  0.508175D+01 -0.117939D+00 -0.518555D+00 -0.185814D+00
      6   0.630172D+00  0.146870D+01  0.653279D+00  0.126685D+01  0.593340D+01
               106           107           108           109           110 
      1  -0.511191D+01 -0.202587D+01 -0.201685D+02 -0.122344D+02  0.388229D+01
      2  -0.891264D+00  0.226059D+01 -0.147401D+02  0.617936D+01 -0.460877D+01
      3   0.600317D+01 -0.234720D+00  0.349086D+02  0.605503D+01  0.726474D+00
      4   0.139655D+01 -0.223844D+01  0.950293D+00 -0.166142D+02 -0.126090D+02
      5   0.397618D+01  0.586954D-01 -0.563329D+01 -0.492343D+00  0.440295D+00
      6   0.125681D+01  0.476231D+01  0.860814D+01 -0.487166D+00  0.341654D+00
               111           112           113           114           115 
      1  -0.448749D+00  0.165966D+01 -0.556389D+01  0.329920D+00  0.792268D-01
      2  -0.139640D-01 -0.152672D+01  0.754605D+01 -0.315490D+00 -0.188659D-01
      3   0.462713D+00 -0.132935D+00 -0.198216D+01 -0.144301D-01 -0.603608D-01
      4   0.411299D+00  0.320097D+00  0.139880D+01  0.100703D+00 -0.350885D+00
      5  -0.554270D+01  0.309649D-01 -0.268164D+00  0.527882D+00  0.320621D+00
      6  -0.146136D+01  0.267913D+00 -0.438647D+00  0.148692D+01 -0.765551D-01
               116           117           118           119           120 
      1   0.673820D+00 -0.222844D+01  0.906405D+01  0.702170D+01  0.340173D-01
      2  -0.642686D+00  0.697573D+00 -0.391284D+01 -0.327487D+01  0.834982D-01
      3  -0.311341D-01  0.153087D+01 -0.515121D+01 -0.374683D+01 -0.117515D+00
      4   0.152503D+00  0.461698D+00  0.781205D+01  0.556937D+01  0.381754D-02
      5   0.786970D+00  0.216730D+00 -0.178842D+00  0.556115D-01  0.235711D+01
      6   0.251643D+01 -0.511306D+00  0.227604D-01  0.258006D-01  0.134840D+01
               121           122           123           124           125 
      1   0.208532D+02  0.429733D+01  0.566758D+00 -0.759126D+00  0.978173D-01
      2  -0.122715D+02 -0.154704D+01 -0.545153D+00  0.344900D+00 -0.235508D+00
      3  -0.858171D+01 -0.275028D+01 -0.216047D-01  0.414226D+00  0.137690D+00
      4   0.662366D+01  0.215536D+02 -0.915731D-01  0.407745D-01 -0.162027D+00
      5   0.507121D+00 -0.240114D+00  0.465508D+01  0.426530D+01  0.252629D+01
      6   0.565394D-01  0.392248D+00 -0.192702D+00  0.606660D+00  0.154113D+01
               126           127           128           129           130 
      1   0.165302D+01 -0.420332D+01  0.894418D+01 -0.662427D+00  0.704793D+01
      2  -0.187703D+01  0.427908D+01 -0.120350D+02  0.231724D+00 -0.661127D+01
      3   0.224013D+00 -0.757570D-01  0.309084D+01  0.430703D+00 -0.436652D+00
      4   0.263004D+01 -0.423399D+01 -0.113024D+01 -0.160866D+00  0.363465D+01
      5   0.217800D+00 -0.151980D+00  0.107035D+00 -0.106375D+01  0.395963D-01
      6   0.661245D-01 -0.480030D+00  0.939993D+00 -0.151745D+01  0.120648D+00
               131           132           133           134           135 
      1  -0.201800D+02  0.659060D+00 -0.483419D+00  0.183602D+01 -0.324315D+01
      2   0.301578D+02 -0.936283D+00  0.545228D+00 -0.210645D+01  0.293736D+01
      3  -0.997777D+01  0.277223D+00 -0.618089D-01  0.270430D+00  0.305792D+00
      4   0.709727D+01 -0.339905D+00 -0.648658D+00 -0.618442D+00  0.773625D+00
      5  -0.664355D+00  0.186686D+01  0.949849D+00  0.865624D+00  0.323574D+00
      6  -0.175710D+01  0.459012D+01 -0.249067D+00  0.522786D+01 -0.675400D+00
               136           137           138           139           140 
      1   0.153868D+02  0.310620D+01  0.179901D+01 -0.336375D+01  0.457619D+01
      2  -0.644268D+01 -0.782505D+01 -0.463841D+00  0.519521D+00 -0.262587D+01
      3  -0.894408D+01  0.471885D+01 -0.133517D+01  0.284423D+01 -0.195032D+01
      4  -0.165821D+02  0.135520D+02 -0.175746D+01  0.445480D+01 -0.745759D+00
      5   0.173425D+01 -0.204160D+00  0.367065D+01 -0.635011D+00  0.692515D+00
      6  -0.160747D+01  0.137382D+00 -0.490591D+01  0.299586D+00 -0.371479D+00
               141           142           143           144 
      1  -0.140310D+00  0.177328D+01  0.158744D+01  0.571792D+00
      2   0.178508D+00 -0.121937D+01 -0.190275D+01 -0.139890D+01
      3  -0.381975D-01 -0.553908D+00  0.315318D+00  0.827110D+00
      4   0.560474D+00 -0.326054D+01  0.192469D+01 -0.331897D+01
      5  -0.154995D+01  0.409694D+01 -0.246422D+01  0.161418D+01
      6   0.156185D+00 -0.209188D+01  0.255558D+01 -0.190946D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.156366D+01      0.397443D+01      0.132573D+02
   x          0.101689D+01      0.258468D+01      0.862157D+01
   y          0.118413D+01      0.300975D+01      0.100394D+02
   z         -0.938804D-01     -0.238620D+00     -0.795952D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.672457D+02      0.996479D+01      0.110873D+02
   aniso      0.310832D+02      0.460605D+01      0.512492D+01
   xx         0.817975D+02      0.121211D+02      0.134866D+02
   yx         0.485171D+00      0.718949D-01      0.799938D-01
   yy         0.724905D+02      0.107420D+02      0.119521D+02
   zx         0.231744D+01      0.343409D+00      0.382094D+00
   zy        -0.928608D+00     -0.137605D+00     -0.153107D+00
   zz         0.474490D+02      0.703122D+01      0.782329D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.729316D+02      0.108073D+02      0.120248D+02
   aniso      0.315276D+02      0.467190D+01      0.519819D+01
   xx         0.875972D+02      0.129806D+02      0.144428D+02
   yx         0.500681D+00      0.741932D-01      0.825511D-01
   yy         0.783548D+02      0.116110D+02      0.129190D+02
   zx         0.247640D+01      0.366964D+00      0.408303D+00
   zy        -0.958035D+00     -0.141966D+00     -0.157959D+00
   zz         0.528427D+02      0.783048D+01      0.871258D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.36613705         -1.93231799          1.06411086
     8          3.00072679         -2.52661013         -1.05307819
     8          3.23434426         -3.14809118          3.06439376
     6          0.57953831          0.25315521          1.64440423
     6         -1.74053337          0.54815162         -0.07722782
     6         -1.33701404          1.28257180         -2.87418922
     8         -2.57050826          3.01472731         -3.70610856
     8         -0.29014366         -0.16379782          4.16270315
     8         -3.17544312          2.49464004          1.07212425
     8          0.24842355         -0.02655414         -4.26499645
     1          1.61570088          2.04863596          1.64290003
     1         -2.86860962         -1.18682636          0.06026479
     1          1.32614180         -1.15806300         -3.21385684
     1          2.37538208         -2.48111987          4.55567432
     1         -1.53344592          1.12583451          4.52766959
     1         -3.70314660          3.58767736         -0.31555838

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.156366D+01      0.397443D+01      0.132573D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.156366D+01      0.397443D+01      0.132573D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.672457D+02      0.996479D+01      0.110873D+02
   aniso      0.310832D+02      0.460605D+01      0.512492D+01
   xx         0.621454D+02      0.920900D+01      0.102464D+02
   yx        -0.150861D+02     -0.223553D+01     -0.248736D+01
   yy         0.628739D+02      0.931696D+01      0.103665D+02
   zx         0.175982D+01      0.260778D+00      0.290155D+00
   zy        -0.489331D+01     -0.725114D+00     -0.806798D+00
   zz         0.767178D+02      0.113684D+02      0.126491D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.729316D+02      0.108073D+02      0.120248D+02
   aniso      0.315276D+02      0.467190D+01      0.519819D+01
   xx         0.676484D+02      0.100245D+02      0.111537D+02
   yx        -0.153079D+02     -0.226840D+01     -0.252394D+01
   yy         0.685878D+02      0.101637D+02      0.113086D+02
   zx         0.166060D+01      0.246075D+00      0.273795D+00
   zy        -0.495064D+01     -0.733609D+00     -0.816250D+00
   zz         0.825586D+02      0.122339D+02      0.136121D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 YOU KNOW YOU'RE A TEACHER WHEN YOU SAY 2, WRITE 3, AND MEAN 4.
 -- RONALD ANSTROM, HIGH SCHOOL TEACHER, UNDERWOOD, N.D. 1974
 Job cpu time:       0 days  5 hours 38 minutes 56.8 seconds.
 Elapsed time:       0 days  0 hours 42 minutes 51.7 seconds.
 File lengths (MBytes):  RWF=    252 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Wed Jul 28 19:58:39 2021.
